data_[La4Er16Cd2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.7583]
_cell_length_b [5.3942]
_cell_length_c [6.8456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2515]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Er8Cd]
_chemical_formula_sum '[La4 Er16 Cd2]'
_cell_volume [690.7735]
_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
[
  La  La0  4  0.2197  0.0000  0.6664  1.0
  Er  Er1  4  0.0348  0.0000  0.7503  1.0
  Er  Er2  4  0.0886  0.5000  0.4195  1.0
  Er  Er3  4  0.1559  0.5000  0.9091  1.0
  Er  Er4  4  0.1573  0.0000  0.1725  1.0
  Cd  Cd5  2  0.0000  0.5000  0.0000  1.0
]