data_[Nd20Y8Er4Th4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Y  1.2200  1.8000  1.0400
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.4335]
_cell_length_b [21.7515]
_cell_length_c [10.6081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Nd5Y2ErTh]
_chemical_formula_sum '[Nd20 Y8 Er4 Th4]'
_cell_volume [1253.7405]
_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
[
  Nd  Nd0  8  0.0000  0.2783  0.5567  1
  Nd  Nd1  4  0.0000  0.0010  0.7500  1
  Nd  Nd2  4  0.0000  0.3754  0.2500  1
  Nd  Nd3  4  0.0000  0.5000  0.0000  1
  Y  Y4  8  0.0000  0.1133  0.0016  1
  Er  Er5  4  0.0000  0.3977  0.7500  1
  Th  Th6  4  0.0000  0.2134  0.2500  1
]