data_[Nd6Er12Tl2]
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 [P2_1/m]
_cell_length_a [12.9172]
_cell_length_b [3.5560]
_cell_length_c [14.4745]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.0141]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3Er6Tl]
_chemical_formula_sum '[Nd6 Er12 Tl2]'
_cell_volume [628.5961]
_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  0.0333  0.7500  0.9067  1.0
  Nd  Nd1  2  0.1227  0.7500  0.4992  1.0
  Nd  Nd2  2  0.4898  0.7500  0.1041  1.0
  Er  Er3  2  0.1167  0.2500  0.7100  1.0
  Er  Er4  2  0.1690  0.7500  0.2805  1.0
  Er  Er5  2  0.2487  0.2500  0.1056  1.0
  Er  Er6  2  0.2833  0.7500  0.8994  1.0
  Er  Er7  2  0.3550  0.7500  0.6894  1.0
  Er  Er8  2  0.3626  0.2500  0.4771  1.0
  Tl  Tl9  2  0.4249  0.7500  0.3088  1.0
]