data_[Ni3Pt1Se6]
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 [6.2347]
_cell_length_b [6.2740]
_cell_length_c [6.4500]
_cell_angle_alpha [84.3402]
_cell_angle_beta [62.2176]
_cell_angle_gamma [62.0310]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ni3PtSe6]
_chemical_formula_sum '[Ni3 Pt1 Se6]'
_cell_volume [194.8108]
_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  0.1089  0.3307  0.1119  1
  Ni  Ni1  1  0.0000  0.5000  0.5000  1
  Pt  Pt2  1  0.0000  0.0000  0.0000  1
  Se  Se3  2  0.1326  0.8004  0.5702  1
  Se  Se4  2  0.2221  0.2455  0.7256  1
  Se  Se5  2  0.4829  0.3298  0.1118  1
]