# generated using pymatgen
data_Cu2NiSn3S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31010844
_cell_length_b   7.31010844
_cell_length_c   7.31010790
_cell_angle_alpha   60.60525327
_cell_angle_beta   60.60525327
_cell_angle_gamma   60.60525370
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2NiSn3S8
_chemical_formula_sum   'Cu2 Ni1 Sn3 S8'
_cell_volume   279.99655601
_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
  Cu  Cu0  1  0.38228700  0.38228700  0.38228700  1.0
  Cu  Cu1  1  0.61771300  0.61771300  0.61771300  1.0
  Ni  Ni2  1  0.00000000  0.00000000  0.00000000  1.0
  Sn  Sn3  1  0.00000000  0.50000000  0.00000000  1.0
  Sn  Sn4  1  0.00000000  0.00000000  0.50000000  1.0
  Sn  Sn5  1  0.50000000  0.00000000  0.00000000  1.0
  S  S6  1  0.76371900  0.23288100  0.76371900  1.0
  S  S7  1  0.74881000  0.74881000  0.74881000  1.0
  S  S8  1  0.76711900  0.23628100  0.23628100  1.0
  S  S9  1  0.23628100  0.23628100  0.76711900  1.0
  S  S10  1  0.23628100  0.76711900  0.23628100  1.0
  S  S11  1  0.25119000  0.25119000  0.25119000  1.0
  S  S12  1  0.23288100  0.76371900  0.76371900  1.0
  S  S13  1  0.76371900  0.76371900  0.23288100  1.0