data_[Si6As4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0103]
_cell_length_b [5.7098]
_cell_length_c [8.4020]
_cell_angle_alpha [91.7621]
_cell_angle_beta [93.2789]
_cell_angle_gamma [107.9763]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Si3As2Pt]
_chemical_formula_sum '[Si6 As4 Pt2]'
_cell_volume [227.9628]
_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  1  0.0473  0.4576  0.4051  1
  Si  Si1  1  0.1793  0.7641  0.8020  1
  Si  Si2  1  0.3373  0.0225  0.2243  1
  Si  Si3  1  0.5822  0.3289  0.6710  1
  Si  Si4  1  0.6679  0.9594  0.7555  1
  Si  Si5  1  0.6725  0.6145  0.0695  1
  As  As6  1  0.1924  0.1182  0.4816  1
  As  As7  1  0.2921  0.3948  0.8816  1
  As  As8  1  0.4956  0.6960  0.3204  1
  As  As9  1  0.7956  0.2708  0.1623  1
  Pt  Pt10  1  0.8540  0.7116  0.5683  1
  Pt  Pt11  1  0.9962  0.9873  0.9961  1
]