data_[Ce1Ho6Er1]
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 [6.4558]
_cell_length_b [6.7190]
_cell_length_c [6.8346]
_cell_angle_alpha [118.9233]
_cell_angle_beta [102.3456]
_cell_angle_gamma [90.6080]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeHo6Er]
_chemical_formula_sum '[Ce1 Ho6 Er1]'
_cell_volume [251.2184]
_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  1  0.5000  0.0000  0.0000  1
  Ho  Ho1  2  0.2329  0.5718  0.4785  1
  Ho  Ho2  2  0.2500  0.5510  0.9995  1
  Ho  Ho3  2  0.2700  0.0960  0.5211  1
  Er  Er4  1  0.0000  0.0000  0.0000  1
]