# generated using pymatgen
data_MgNi4(PS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41738536
_cell_length_b   5.51054760
_cell_length_c   7.26204980
_cell_angle_alpha   90.36932511
_cell_angle_beta   94.88880873
_cell_angle_gamma   89.95462670
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNi4(PS)4
_chemical_formula_sum   'Mg1 Ni4 P4 S4'
_cell_volume   215.99903670
_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
  Mg  Mg0  1  0.40251615  0.73334728  0.24620573  1.0
  Ni  Ni1  1  0.05490251  0.00874965  0.97997932  1.0
  Ni  Ni2  1  0.43241371  0.99440783  0.56296356  1.0
  Ni  Ni3  1  0.55581852  0.50302639  0.92386533  1.0
  Ni  Ni4  1  0.93124570  0.49524166  0.51074603  1.0
  P  P5  1  0.57558234  0.61183837  0.61959412  1.0
  P  P6  1  0.91302937  0.36462452  0.04125555  1.0
  P  P7  1  0.06448349  0.85598238  0.47551839  1.0
  P  P8  1  0.40782143  0.12574085  0.87165355  1.0
  S  S9  1  0.31413446  0.37580678  0.45897794  1.0
  S  S10  1  0.16420633  0.62559653  0.94185480  1.0
  S  S11  1  0.81756412  0.12139250  0.55214637  1.0
  S  S12  1  0.67580586  0.88662726  0.01762130  1.0