data_image0
_chemical_formula_structural       BaCl2
_chemical_formula_sum              "Ba1 Cl2"
_cell_length_a       4.81355379471995
_cell_length_b       4.813553794719948
_cell_length_c       17.769100799288978
_cell_angle_alpha    90.0
_cell_angle_beta     90.0
_cell_angle_gamma    120.00000000000001

_space_group_name_H-M_alt    "P 1"
_space_group_IT_number       1

loop_
  _space_group_symop_operation_xyz
  'x, y, z'

loop_
  _atom_site_type_symbol
  _atom_site_label
  _atom_site_symmetry_multiplicity
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_occupancy
  Ba  Ba1       1.0  0.0  0.0  0.5000000000200072  1.0000
  Cl  Cl1       1.0  0.6666666672666802  0.3333333334364472  0.5779189907241065  1.0000
  Cl  Cl2       1.0  0.3333333334364473  0.6666666668728944  0.42208100931590803  1.0000