data_[Ca9Y3Pt24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4628]
_cell_length_b [5.4628]
_cell_length_c [26.6004]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ca3YPt8]
_chemical_formula_sum '[Ca9 Y3 Pt24]'
_cell_volume [687.4700]
_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  0.0021  1
  Ca  Ca1  3  0.0000  0.0000  0.3742  1
  Ca  Ca2  3  0.0000  0.0000  0.4979  1
  Y  Y3  3  0.0000  0.0000  0.8761  1
  Pt  Pt4  9  0.0017  0.5009  0.4385  1
  Pt  Pt5  9  0.1677  0.3354  0.2698  1
  Pt  Pt6  3  0.0000  0.0000  0.1874  1
  Pt  Pt7  3  0.0000  0.0000  0.6875  1
]