data_[Nd12Y4Tl4]
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
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3791]
_cell_length_b [5.6324]
_cell_length_c [9.9534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2031]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd3YTl]
_chemical_formula_sum '[Nd12 Y4 Tl4]'
_cell_volume [655.3812]
_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  4  0.1363  0.0000  0.6021  1.0
  Nd  Nd1  4  0.1538  0.5000  0.0318  1.0
  Nd  Nd2  4  0.2151  0.0000  0.2830  1.0
  Y  Y3  4  0.0453  0.5000  0.3510  1.0
  Tl  Tl4  4  0.0549  0.0000  0.8770  1.0
]