data_[Sm6Mg6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Mg  1.3100  1.5000  0.8600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.4419]
_cell_length_b [4.0585]
_cell_length_c [7.5667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [SmMgPt]
_chemical_formula_sum '[Sm6 Mg6 Pt6]'
_cell_volume [412.7932]
_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
[
  Sm  Sm0  4  0.0460  0.0000  0.7741  1
  Sm  Sm1  2  0.2500  0.0000  0.1533  1
  Mg  Mg2  4  0.1280  0.5000  0.4359  1
  Mg  Mg3  2  0.2500  0.5000  0.8007  1
  Pt  Pt4  4  0.0990  0.5000  0.0649  1
  Pt  Pt5  2  0.2500  0.0000  0.5617  1
]