data_[Pr2Ho6Ru2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.6407]
_cell_length_b [6.4267]
_cell_length_c [6.2386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [PrHo3Ru]
_chemical_formula_sum '[Pr2 Ho6 Ru2]'
_cell_volume [306.3426]
_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
[
  Pr  Pr0  2  0.0000  0.1489  0.4325  1
  Ho  Ho1  4  0.2489  0.3255  0.9260  1
  Ho  Ho2  2  0.0000  0.8398  0.9200  1
  Ru  Ru3  2  0.0000  0.5055  0.1737  1
]