data_[Ho12Np4Ru12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Np  1.3600  1.7500  1.0000
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9455]
_cell_length_b [3.9532]
_cell_length_c [14.4263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.6833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ho3NpRu3]
_chemical_formula_sum '[Ho12 Np4 Ru12]'
_cell_volume [623.8742]
_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
[
  Ho  Ho0  4  0.0336  0.5000  0.7982  1
  Ho  Ho1  4  0.1283  0.0000  0.6366  1
  Ho  Ho2  4  0.1791  0.5000  0.0707  1
  Np  Np3  4  0.1668  0.0000  0.3948  1
  Ru  Ru4  4  0.0407  0.0000  0.9316  1
  Ru  Ru5  4  0.0841  0.5000  0.4587  1
  Ru  Ru6  4  0.1809  0.0000  0.2411  1
]