data_[Ce4Pm4Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4191]
_cell_length_b [6.8415]
_cell_length_c [9.1282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CePmEr3]
_chemical_formula_sum '[Ce4 Pm4 Er12]'
_cell_volume [622.3569]
_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  0.1119  0.0000  0.1135  1
  Pm  Pm1  4  0.1704  0.5000  0.0767  1
  Er  Er2  8  0.0532  0.2563  0.6988  1
  Er  Er3  4  0.2483  0.5000  0.4837  1
]