data_[Ca4Ga12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2924]
_cell_length_b [4.3038]
_cell_length_c [11.0547]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaGa3Pt]
_chemical_formula_sum '[Ca4 Ga12 Pt4]'
_cell_volume [394.5284]
_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
[
  Ca  Ca0  4  0.1997  0.2500  0.9880  1.0
  Ga  Ga1  4  0.0639  0.2500  0.4082  1.0
  Ga  Ga2  4  0.1044  0.7500  0.1923  1.0
  Ga  Ga3  4  0.1435  0.7500  0.7893  1.0
  Pt  Pt4  4  0.1024  0.2500  0.6435  1.0
]