# generated using pymatgen
data_Zr2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35471089
_cell_length_b   7.35471358
_cell_length_c   7.35471356
_cell_angle_alpha   60.00000010
_cell_angle_beta   59.99998800
_cell_angle_gamma   59.99998314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CuS4
_chemical_formula_sum   'Zr4 Cu2 S8'
_cell_volume   281.30797273
_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
  Zr  Zr0  1  0.50000000  0.50000000  -0.00000000  1.0
  Zr  Zr1  1  0.50000000  0.50000000  0.50000000  1.0
  Zr  Zr2  1  0.00000000  0.50000000  0.50000000  1.0
  Zr  Zr3  1  0.50000000  -0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.87500000  0.87500000  0.87500000  1.0
  Cu  Cu5  1  0.12500000  0.12500000  0.12500000  1.0
  S  S6  1  0.74856834  0.74856834  0.74856834  1.0
  S  S7  1  0.25143166  0.25143166  0.74570502  1.0
  S  S8  1  0.25143166  0.74570502  0.25143166  1.0
  S  S9  1  0.74570502  0.25143166  0.25143166  1.0
  S  S10  1  0.74856834  0.25429498  0.74856834  1.0
  S  S11  1  0.25429498  0.74856834  0.74856834  1.0
  S  S12  1  0.25143166  0.25143166  0.25143166  1.0
  S  S13  1  0.74856834  0.74856834  0.25429498  1.0