data_[Ce4Ho4Er8]
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 [C2/m]
_cell_length_a [22.7467]
_cell_length_b [3.3743]
_cell_length_c [6.3770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4045]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeHoEr2]
_chemical_formula_sum '[Ce4 Ho4 Er8]'
_cell_volume [488.0118]
_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  0.0017  0.5000  0.2101  1
  Ho  Ho1  4  0.2498  0.5000  0.2566  1
  Er  Er2  4  0.1233  0.0000  0.0380  1
  Er  Er3  4  0.1255  0.5000  0.5385  1
]