data_[Y12Te6Pt2S4]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2052]
_cell_length_b [12.4785]
_cell_length_c [7.3934]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y6Te3PtS2]
_chemical_formula_sum '[Y12 Te6 Pt2 S4]'
_cell_volume [628.1678]
_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  8  0.2348  0.1647  0.2139  1
  Y  Y1  4  0.2421  0.5000  0.2165  1
  Te  Te2  4  0.0000  0.1702  0.5000  1
  Te  Te3  2  0.0000  0.5000  0.5000  1
  Pt  Pt4  2  0.0000  0.0000  0.0000  1
  S  S5  4  0.0000  0.3342  0.0000  1
]