data_[Ce4Ho4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ho  1.2300  1.7500  1.0410
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4966]
_cell_length_b [3.6899]
_cell_length_c [7.7376]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3856]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHoRu]
_chemical_formula_sum '[Ce4 Ho4 Ru4]'
_cell_volume [297.9182]
_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
[
  Ce  Ce0  4  0.0965  0.5000  0.8962  1.0
  Ho  Ho1  4  0.1597  0.0000  0.5593  1.0
  Ru  Ru2  4  0.1360  0.0000  0.1635  1.0
]