data_[Ce2Ho12Er5]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.1349]
_cell_length_b [10.0321]
_cell_length_c [10.4307]
_cell_angle_alpha [66.9092]
_cell_angle_beta [84.6714]
_cell_angle_gamma [87.3761]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ce2Ho12Er5]
_chemical_formula_sum '[Ce2 Ho12 Er5]'
_cell_volume [587.9553]
_cell_formula_units_Z [1]
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  2  0.2999  0.0158  0.9587  1
  Ho  Ho1  2  0.0482  0.7981  0.2350  1
  Ho  Ho2  2  0.0858  0.1715  0.1566  1
  Ho  Ho3  2  0.1105  0.8279  0.5282  1
  Ho  Ho4  2  0.3881  0.3302  0.3314  1
  Ho  Ho5  2  0.4039  0.6660  0.0055  1
  Ho  Ho6  2  0.4736  0.3464  0.6597  1
  Er  Er7  2  0.0980  0.4975  0.8360  1
  Er  Er8  2  0.4229  0.0063  0.6616  1
  Er  Er9  1  0.0000  0.5000  0.5000  1
]