data_[Ce4Sm4Er8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [22.8775]
_cell_length_b [3.4032]
_cell_length_c [6.4172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CeSmEr2]
_chemical_formula_sum '[Ce4 Sm4 Er8]'
_cell_volume [498.2809]
_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  0.0008  0.5000  0.2090  1
  Sm  Sm1  4  0.2500  0.0000  0.7426  1
  Er  Er2  4  0.1220  0.0000  0.0356  1
  Er  Er3  4  0.1242  0.5000  0.5350  1
]