data_[Mg5Pa1Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Pa  1.5000  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.5314]
_cell_length_b [6.8545]
_cell_length_c [6.8542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8870]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Mg5PaPt6]
_chemical_formula_sum '[Mg5 Pa1 Pt6]'
_cell_volume [207.5323]
_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  2  0.3295  0.0000  0.6470  1
  Mg  Mg1  2  0.3346  0.5000  0.6696  1
  Mg  Mg2  1  0.0000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  Pt  Pt4  4  0.1656  0.2583  0.3328  1
  Pt  Pt5  2  0.5000  0.2552  0.0000  1
]