data_[Sm6Sb8Pt14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.6840]
_cell_length_b [4.3046]
_cell_length_c [10.5565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.0255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3Sb4Pt7]
_chemical_formula_sum '[Sm6 Sb8 Pt14]'
_cell_volume [588.9772]
_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
[
  Sm  Sm0  4  0.1717  0.0000  0.6853  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Sb  Sb2  4  0.1405  0.5000  0.4094  1.0
  Sb  Sb3  4  0.1714  0.0000  0.0247  1.0
  Pt  Pt4  4  0.0169  0.0000  0.3273  1.0
  Pt  Pt5  4  0.1228  0.5000  0.8442  1.0
  Pt  Pt6  4  0.1692  0.0000  0.2691  1.0
  Pt  Pt7  2  0.0000  0.5000  0.5000  1.0
]