data_[Y8Pt2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.3310]
_cell_length_b [11.7346]
_cell_length_c [4.0398]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Y4PtSe3]
_chemical_formula_sum '[Y8 Pt2 Se6]'
_cell_volume [394.9379]
_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
[
  Y  Y0  4  0.0000  0.2451  0.5000  1.0
  Y  Y1  4  0.2343  0.0000  0.0000  1.0
  Pt  Pt2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  4  0.2500  0.2500  0.0000  1.0
  Se  Se4  2  0.0000  0.5000  0.5000  1.0
]