data_[Pt3Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2]
_cell_length_a [7.5845]
_cell_length_b [4.5858]
_cell_length_c [18.7476]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [3]
_chemical_formula_structural [Pt3Se4]
_chemical_formula_sum '[Pt3 Se4]'
_cell_volume [652.0639]
_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
[
  Pt  Pt0  2  0.1842  0.8027  0.5509  1
  Pt  Pt1  1  0.5000  0.3039  0.5000  1
  Se  Se2  2  0.2810  0.3052  0.5999  1
  Se  Se3  1  0.0000  0.1992  0.5000  1
  Se  Se4  1  0.5000  0.8034  0.5000  1
]