data_[Ga12Ge8Pt20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0328]
_cell_length_b [13.7053]
_cell_length_c [12.0857]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ga3Ge2Pt5]
_chemical_formula_sum '[Ga12 Ge8 Pt20]'
_cell_volume [667.9855]
_cell_formula_units_Z [4]
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
[
  Ga  Ga0  8  0.0000  0.1689  0.5256  1
  Ga  Ga1  4  0.0000  0.5000  0.0000  1
  Ge  Ge2  4  0.0000  0.1988  0.2500  1
  Ge  Ge3  4  0.0000  0.4455  0.2500  1
  Pt  Pt4  8  0.0000  0.0113  0.1303  1
  Pt  Pt5  8  0.0000  0.3386  0.6123  1
  Pt  Pt6  4  0.0000  0.1700  0.7500  1
]