data_[Mg2Sc2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8452]
_cell_length_b [3.0317]
_cell_length_c [4.7125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7847]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgScPt2]
_chemical_formula_sum '[Mg2 Sc2 Pt4]'
_cell_volume [138.1717]
_cell_formula_units_Z [2]
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  0.2368  0.5000  0.1904  1
  Sc  Sc1  2  0.0135  0.5000  0.5559  1
  Pt  Pt2  2  0.2533  0.0000  0.7031  1
  Pt  Pt3  2  0.4964  0.5000  0.0506  1
]