data_[Y12Te6Pt2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
  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 [18.7084]
_cell_length_b [4.1678]
_cell_length_c [8.6566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2942]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3PtSe2]
_chemical_formula_sum '[Y12 Te6 Pt2 Se4]'
_cell_volume [654.0814]
_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  0.0026  0.0000  0.2194  1.0
  Y  Y1  4  0.1559  0.5000  0.0921  1.0
  Y  Y2  4  0.1721  0.5000  0.5685  1.0
  Te  Te3  4  0.1715  0.0000  0.8310  1.0
  Te  Te4  2  0.0000  0.5000  0.5000  1.0
  Pt  Pt5  2  0.0000  0.5000  0.0000  1.0
  Se  Se6  4  0.1676  0.0000  0.3352  1.0
]