data_[Mg4B4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  B  2.0400  0.8500  0.4100
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.7194]
_cell_length_b [5.6112]
_cell_length_c [6.3491]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4641]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [MgBPt3]
_chemical_formula_sum '[Mg4 B4 Pt12]'
_cell_volume [298.4597]
_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
[
  Mg  Mg0  4  0.1027  0.0000  0.8182  1.0
  B  B1  4  0.1682  0.5000  0.5072  1.0
  Pt  Pt2  8  0.1643  0.2524  0.2350  1.0
  Pt  Pt3  4  0.0854  0.5000  0.7665  1.0
]