data_[Y12As2Pt4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  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 [18.3120]
_cell_length_b [4.0531]
_cell_length_c [8.3485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3275]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6AsPt2Se3]
_chemical_formula_sum '[Y12 As2 Pt4 Se6]'
_cell_volume [594.6361]
_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  0.0082  0.0000  0.2478  1.0
  Y  Y1  4  0.1658  0.5000  0.5875  1.0
  Y  Y2  4  0.1665  0.5000  0.1149  1.0
  As  As3  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt4  4  0.1722  0.0000  0.3549  1.0
  Se  Se5  4  0.1617  0.0000  0.8489  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]