data_[Sm12Ge12Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ge  2.0100  1.2500  0.7700
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4212]
_cell_length_b [10.6443]
_cell_length_c [14.6751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3Ge3Pt2]
_chemical_formula_sum '[Sm12 Ge12 Pt8]'
_cell_volume [690.6199]
_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
[
  Sm  Sm0  8  0.0000  0.0941  0.6093  1.0
  Sm  Sm1  4  0.0000  0.3701  0.7500  1.0
  Ge  Ge2  8  0.0000  0.3821  0.5344  1.0
  Ge  Ge3  4  0.0000  0.3359  0.2500  1.0
  Pt  Pt4  8  0.0000  0.1916  0.1043  1.0
]