data_[La12Pm4Ru8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pm  1.1300  1.8500  1.1100
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.0493]
_cell_length_b [4.2694]
_cell_length_c [11.7116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.3490]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La3PmRu2]
_chemical_formula_sum '[La12 Pm4 Ru8]'
_cell_volume [735.6686]
_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
[
  La  La0  4  0.0526  0.0000  0.2181  1
  La  La1  4  0.1752  0.5000  0.0396  1
  La  La2  4  0.2093  0.0000  0.5867  1
  Pm  Pm3  4  0.0744  0.5000  0.6721  1
  Ru  Ru4  4  0.1195  0.5000  0.4221  1
  Ru  Ru5  4  0.1304  0.0000  0.8602  1
]