data_[La8Nd4Er12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.9849]
_cell_length_b [6.9997]
_cell_length_c [7.0603]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.9976]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2NdEr3]
_chemical_formula_sum '[La8 Nd4 Er12]'
_cell_volume [821.0626]
_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
[
  La  La0  8  0.1770  0.4902  0.0902  1
  Nd  Nd1  4  0.0000  0.2653  0.7500  1
  Er  Er2  8  0.1357  0.0072  0.5658  1
  Er  Er3  4  0.0000  0.2662  0.2500  1
]