data_[Y12P4Pt2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8551]
_cell_length_b [4.0425]
_cell_length_c [8.2202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6816]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6P2PtSe3]
_chemical_formula_sum '[Y12 P4 Pt2 Se6]'
_cell_volume [576.4900]
_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  0.0050  0.0000  0.2428  1.0
  Y  Y1  4  0.1661  0.5000  0.0980  1.0
  Y  Y2  4  0.1719  0.5000  0.5715  1.0
  P  P3  4  0.1674  0.0000  0.3352  1.0
  Pt  Pt4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1678  0.0000  0.8320  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]