data_[Ca6Al3Pt3]
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 [R3m]
_cell_length_a [4.2904]
_cell_length_b [4.2904]
_cell_length_c [22.3133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca2AlPt]
_chemical_formula_sum '[Ca6 Al3 Pt3]'
_cell_volume [355.7025]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3458  1.0
  Ca  Ca1  3  0.0000  0.0000  0.5234  1.0
  Al  Al2  3  0.0000  0.0000  0.1019  1.0
  Pt  Pt3  3  0.0000  0.0000  0.7670  1.0
]