data_[Ce4Er6Fe4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.7132]
_cell_length_b [3.5632]
_cell_length_c [8.8342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Er3Fe2]
_chemical_formula_sum '[Ce4 Er6 Fe4]'
_cell_volume [341.0017]
_cell_formula_units_Z [2]
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  0.1798  0.0000  0.8031  1
  Er  Er1  4  0.1163  0.5000  0.4120  1
  Er  Er2  2  0.0000  0.5000  0.0000  1
  Fe  Fe3  4  0.2079  0.0000  0.2331  1
]