data_[Sm16Ru8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cc]
_cell_length_a [8.8803]
_cell_length_b [13.0298]
_cell_length_c [6.8428]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.7177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Sm4Ru2Pt]
_chemical_formula_sum '[Sm16 Ru8 Pt4]'
_cell_volume [666.1476]
_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  4  0.0400  0.6921  0.7525  1.0
  Sm  Sm1  4  0.2131  0.3088  0.8762  1.0
  Sm  Sm2  4  0.3077  0.0752  0.1650  1.0
  Sm  Sm3  4  0.4117  0.5320  0.1399  1.0
  Ru  Ru4  4  0.0951  0.5045  0.1107  1.0
  Ru  Ru5  4  0.4204  0.3206  0.3485  1.0
  Pt  Pt6  4  0.1383  0.1261  0.6075  1.0
]