# generated using pymatgen
data_Ba2Cu(SBr)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57586108
_cell_length_b   9.57586108
_cell_length_c   9.57586108
_cell_angle_alpha   151.62303862
_cell_angle_beta   151.62303862
_cell_angle_gamma   40.56404851
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu(SBr)2
_chemical_formula_sum   'Ba2 Cu1 S2 Br2'
_cell_volume   197.93660580
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  '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  Ba0  1  0.37950700  0.37950700  0.00000000  1.0
  Ba  Ba1  1  0.62049300  0.62049300  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.00000000  0.50000000  0.50000000  1.0
  S  S4  1  0.50000000  0.00000000  0.50000000  1.0
  Br  Br5  1  0.18306700  0.18306700  0.00000000  1.0
  Br  Br6  1  0.81693300  0.81693300  0.00000000  1.0