data_[Ni2Pt1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9318]
_cell_length_b [5.9540]
_cell_length_c [6.0865]
_cell_angle_alpha [67.6652]
_cell_angle_beta [78.4798]
_cell_angle_gamma [84.7754]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni2PtSe4]
_chemical_formula_sum '[Ni2 Pt1 Se4]'
_cell_volume [129.1243]
_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
[
  Ni  Ni0  2  0.3851  0.3324  0.4363  1.0
  Pt  Pt1  1  0.0000  0.0000  0.0000  1.0
  Se  Se2  2  0.0761  0.4560  0.7563  1.0
  Se  Se3  2  0.4199  0.0299  0.2636  1.0
]