# generated using pymatgen
data_CoNi(PS3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79827216
_cell_length_b   10.04204264
_cell_length_c   6.70652716
_cell_angle_alpha   90.00000000
_cell_angle_beta   106.73859940
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoNi(PS3)2
_chemical_formula_sum   'Co2 Ni2 P4 S12'
_cell_volume   373.95168336
_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
  Co  Co0  1  0.50000000  0.16674400  -0.00000000  1
  Co  Co1  1  0.00000000  0.66674400  0.00000000  1
  Ni  Ni2  1  0.50000000  0.83265700  -0.00000000  1
  Ni  Ni3  1  0.00000000  0.33265700  0.00000000  1
  P  P4  1  0.05742500  0.00005000  0.16985300  1
  P  P5  1  0.94257500  0.00005000  0.83014700  1
  P  P6  1  0.55742500  0.50005000  0.16985300  1
  P  P7  1  0.44257500  0.50005000  0.83014700  1
  S  S8  1  0.24206800  0.82188100  0.22843100  1
  S  S9  1  0.26152100  0.17184800  0.22801600  1
  S  S10  1  0.73847900  0.17184800  0.77198400  1
  S  S11  1  0.75793200  0.82188100  0.77156900  1
  S  S12  1  0.72613500  0.00652100  0.22801600  1
  S  S13  1  0.27386500  0.00652100  0.77198400  1
  S  S14  1  0.74206800  0.32188100  0.22843100  1
  S  S15  1  0.76152100  0.67184800  0.22801600  1
  S  S16  1  0.23847900  0.67184800  0.77198400  1
  S  S17  1  0.25793200  0.32188100  0.77156900  1
  S  S18  1  0.22613500  0.50652100  0.22801600  1
  S  S19  1  0.77386500  0.50652100  0.77198400  1
