data_[Mg1Cd4Pt5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [2.9775]
_cell_length_b [2.9775]
_cell_length_c [19.5205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [MgCd4Pt5]
_chemical_formula_sum '[Mg1 Cd4 Pt5]'
_cell_volume [173.0604]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1.0
  Cd  Cd1  2  0.0000  0.0000  0.1947  1.0
  Cd  Cd2  2  0.0000  0.0000  0.3981  1.0
  Pt  Pt3  2  0.5000  0.5000  0.0913  1.0
  Pt  Pt4  2  0.5000  0.5000  0.2962  1.0
  Pt  Pt5  1  0.5000  0.5000  0.5000  1.0
]