data_[Pm6Nd2Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8010]
_cell_length_b [6.5765]
_cell_length_c [6.4029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Pm3NdRu]
_chemical_formula_sum '[Pm6 Nd2 Ru2]'
_cell_volume [328.4908]
_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
[
  Pm  Pm0  4  0.2498  0.3222  0.9256  1
  Pm  Pm1  2  0.0000  0.8411  0.9207  1
  Nd  Nd2  2  0.0000  0.1563  0.4309  1
  Ru  Ru3  2  0.0000  0.5007  0.1753  1
]