data_[Ca4Ga4Pt4]
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 [7.1743]
_cell_length_b [4.4706]
_cell_length_c [7.6218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CaGaPt]
_chemical_formula_sum '[Ca4 Ga4 Pt4]'
_cell_volume [244.4574]
_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  0.0112  0.2500  0.3116  1.0
  Ga  Ga1  4  0.1664  0.2500  0.9223  1.0
  Pt  Pt2  4  0.2039  0.7500  0.1016  1.0
]