# generated using pymatgen
data_Cu3BS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.95521963
_cell_length_b   6.03656434
_cell_length_c   6.97220597
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu3BS4
_chemical_formula_sum   'Cu6 B2 S8'
_cell_volume   250.64429570
_cell_formula_units_Z   2
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
  Cu  Cu0  1  0.91183611  0.82632261  0.24752909  1.0
  Cu  Cu1  1  0.41183611  0.17367739  0.25247091  1.0
  Cu  Cu2  1  0.41183611  0.17367739  0.74752909  1.0
  Cu  Cu3  1  0.91183611  0.82632261  0.75247091  1.0
  Cu  Cu4  1  0.40938026  0.64645505  0.50000000  1.0
  Cu  Cu5  1  0.90938026  0.35354495  0.00000000  1.0
  B  B6  1  0.40130345  0.67081198  0.00000000  1.0
  B  B7  1  0.90130345  0.32918802  0.50000000  1.0
  S  S8  1  0.29057148  0.81800621  0.77356950  1.0
  S  S9  1  0.79057148  0.18199379  0.72643050  1.0
  S  S10  1  0.78851838  0.62976944  0.50000000  1.0
  S  S11  1  0.28851838  0.37023056  0.00000000  1.0
  S  S12  1  0.79057148  0.18199379  0.27356950  1.0
  S  S13  1  0.29057148  0.81800621  0.22643050  1.0
  S  S14  1  0.72674172  0.67807944  0.00000000  1.0
  S  S15  1  0.22674172  0.32192056  0.50000000  1.0