data_[Ca6Mg6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.3043]
_cell_length_b [4.3059]
_cell_length_c [12.6036]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaMgPt]
_chemical_formula_sum '[Ca6 Mg6 Pt6]'
_cell_volume [396.3997]
_cell_formula_units_Z [6]
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  2  0.0253  0.7500  0.7113  1
  Ca  Ca1  2  0.3531  0.2500  0.0818  1
  Ca  Ca2  2  0.4702  0.2500  0.3797  1
  Mg  Mg3  2  0.0083  0.7500  0.0878  1
  Mg  Mg4  2  0.1431  0.7500  0.4580  1
  Mg  Mg5  2  0.3586  0.2500  0.7948  1
  Pt  Pt6  2  0.2302  0.7500  0.9129  1
  Pt  Pt7  2  0.2307  0.2500  0.5806  1
  Pt  Pt8  2  0.2687  0.7500  0.2495  1
]