data_[Ca4Al4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Al  1.6100  1.2500  0.6750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8942]
_cell_length_b [6.0188]
_cell_length_c [7.9717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9149]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaAlPt]
_chemical_formula_sum '[Ca4 Al4 Pt4]'
_cell_volume [256.4844]
_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  0.2860  0.1342  0.1102  1
  Al  Al1  4  0.2713  0.6233  0.9568  1
  Pt  Pt2  4  0.1246  0.6051  0.2042  1
]