data_[Ce4Nd4Y12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.0125]
_cell_length_b [14.9252]
_cell_length_c [10.0236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CeNdY3Er]
_chemical_formula_sum '[Ce4 Nd4 Y12 Er4]'
_cell_volume [749.8786]
_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  0.0000  0.4991  0.7500  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Y  Y2  8  0.0000  0.3345  0.5004  1.0
  Y  Y3  4  0.0000  0.1673  0.7500  1.0
  Er  Er4  4  0.0000  0.1667  0.2500  1.0
]