data_[Sm12Ge4Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.2325]
_cell_length_b [4.4629]
_cell_length_c [8.2640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.1174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm3GeRu]
_chemical_formula_sum '[Sm12 Ge4 Ru4]'
_cell_volume [523.5559]
_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  0.0463  0.0000  0.3035  1
  Sm  Sm1  4  0.1159  0.5000  0.9365  1
  Sm  Sm2  4  0.2389  0.0000  0.6893  1
  Ge  Ge3  4  0.0924  0.5000  0.5558  1
  Ru  Ru4  4  0.1954  0.0000  0.0913  1
]