data_[Ba4Pm4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [7.2547]
_cell_length_b [7.9616]
_cell_length_c [6.7205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4232]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaPmRu]
_chemical_formula_sum '[Ba4 Pm4 Ru4]'
_cell_volume [385.7335]
_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
[
  Ba  Ba0  4  0.2375  0.5000  0.4000  1
  Pm  Pm1  4  0.0000  0.2183  0.0000  1
  Ru  Ru2  4  0.1916  0.5000  0.8688  1
]