data_[Nd10Er2Tl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4973]
_cell_length_b [7.7475]
_cell_length_c [16.4937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd5ErTl6]
_chemical_formula_sum '[Nd10 Er2 Tl12]'
_cell_volume [702.4696]
_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  4  0.0000  0.0000  0.3351  1
  Nd  Nd1  4  0.0000  0.5000  0.3286  1
  Nd  Nd2  2  0.0000  0.5000  0.0000  1
  Er  Er3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  8  0.0000  0.2436  0.1630  1
  Tl  Tl5  4  0.0000  0.2618  0.5000  1
]