data_[Si4Te2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.1760]
_cell_length_b [3.7191]
_cell_length_c [6.2317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.5755]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Si2TePt]
_chemical_formula_sum '[Si4 Te2 Pt2]'
_cell_volume [155.7046]
_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
[
  Si  Si0  2  0.2283  0.0000  0.8187  1
  Si  Si1  2  0.4947  0.5000  0.0099  1
  Te  Te2  2  0.0333  0.5000  0.4752  1
  Pt  Pt3  2  0.2437  0.5000  0.1963  1
]