data_[Nd4Y2Er2Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.1563]
_cell_length_b [10.1465]
_cell_length_c [6.9156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Nd2YErTl2]
_chemical_formula_sum '[Nd4 Y2 Er2 Tl4]'
_cell_volume [361.8135]
_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
[
  Nd  Nd0  2  0.0000  0.1881  0.3317  1.0
  Nd  Nd1  2  0.5000  0.0446  0.0606  1.0
  Y  Y2  2  0.0000  0.4570  0.9593  1.0
  Er  Er3  2  0.5000  0.3147  0.6753  1.0
  Tl  Tl4  2  0.0000  0.1449  0.8002  1.0
  Tl  Tl5  2  0.5000  0.3772  0.2185  1.0
]