data_[V1Sb2Pt1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.3448]
_cell_length_b [5.3448]
_cell_length_c [4.5400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [VSb2PtSe]
_chemical_formula_sum '[V1 Sb2 Pt1 Se1]'
_cell_volume [129.6919]
_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
[
  V  V0  1  0.0000  0.0000  0.5000  1
  Sb  Sb1  2  0.0000  0.5000  0.0000  1
  Pt  Pt2  1  0.5000  0.5000  0.5000  1
  Se  Se3  1  0.0000  0.0000  0.0000  1
]