data_[Ce4Ho12Er4]
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 [Pnma]
_cell_length_a [9.2828]
_cell_length_b [7.2587]
_cell_length_c [9.3083]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeHo3Er]
_chemical_formula_sum '[Ce4 Ho12 Er4]'
_cell_volume [627.2091]
_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  0.1748  0.2500  0.8281  1
  Ho  Ho1  8  0.1263  0.5042  0.1260  1
  Ho  Ho2  4  0.1717  0.7500  0.8258  1
  Er  Er3  4  0.0000  0.0000  0.5000  1
]