# generated using pymatgen
data_ZnNi2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56711688
_cell_length_b   13.33014834
_cell_length_c   6.40420714
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnNi2S5
_chemical_formula_sum   'Zn2 Ni4 S10'
_cell_volume   304.52131214
_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
  Zn  Zn0  1  0.50000000  0.10736500  0.00000000  1
  Zn  Zn1  1  0.00000000  0.89263500  0.50000000  1
  Ni  Ni2  1  0.00000000  0.53385200  0.85493300  1
  Ni  Ni3  1  0.50000000  0.46614800  0.64506700  1
  Ni  Ni4  1  0.50000000  0.46614800  0.35493300  1
  Ni  Ni5  1  0.00000000  0.53385200  0.14506700  1
  S  S6  1  0.50000000  0.63909200  0.50000000  1
  S  S7  1  0.00000000  0.36090800  0.00000000  1
  S  S8  1  0.50000000  0.35737400  0.80294900  1
  S  S9  1  0.00000000  0.64262600  0.69705100  1
  S  S10  1  0.50000000  0.35737400  0.19705100  1
  S  S11  1  0.00000000  0.64262600  0.30294900  1
  S  S12  1  0.00000000  0.85390800  0.08015400  1
  S  S13  1  0.50000000  0.14609200  0.41984600  1
  S  S14  1  0.50000000  0.14609200  0.58015400  1
  S  S15  1  0.00000000  0.85390800  0.91984600  1
