# generated using pymatgen
data_Ba2Cu(SCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.45005258
_cell_length_b   8.45005258
_cell_length_c   8.45005258
_cell_angle_alpha   146.52538608
_cell_angle_beta   146.52538608
_cell_angle_gamma   48.06704334
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2Cu(SCl)2
_chemical_formula_sum   'Ba2 Cu1 S2 Cl2'
_cell_volume   182.80676679
_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  0.35422900  0.35422900  0.00000000  1.0
  Ba  Ba1  1  0.64577100  0.64577100  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.15583600  0.15583600  0.00000000  1.0
  S  S4  1  0.84416400  0.84416400  0.00000000  1.0
  Cl  Cl5  1  0.50000000  0.00000000  0.50000000  1.0
  Cl  Cl6  1  0.00000000  0.50000000  0.50000000  1.0