data_[Na4Ca12Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [17.4462]
_cell_length_b [4.0683]
_cell_length_c [9.3280]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.6914]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [NaCa3Pt]
_chemical_formula_sum '[Na4 Ca12 Pt4]'
_cell_volume [643.2510]
_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
[
  Na  Na0  2  0.2530  0.5000  0.8208  1.0
  Na  Na1  2  0.4352  0.5000  0.9909  1.0
  Ca  Ca2  2  0.0832  0.0000  0.7930  1.0
  Ca  Ca3  2  0.1150  0.5000  0.1913  1.0
  Ca  Ca4  2  0.1907  0.0000  0.5066  1.0
  Ca  Ca5  2  0.2949  0.0000  0.1918  1.0
  Ca  Ca6  2  0.3983  0.0000  0.6186  1.0
  Ca  Ca7  2  0.4745  0.5000  0.3800  1.0
  Pt  Pt8  2  0.0702  0.5000  0.5617  1.0
  Pt  Pt9  2  0.2989  0.5000  0.4138  1.0
]