data_[Nd2Ho2Tl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ho  1.2300  1.7500  1.0410
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6563]
_cell_length_b [3.6563]
_cell_length_c [13.7870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [NdHoTl]
_chemical_formula_sum '[Nd2 Ho2 Tl2]'
_cell_volume [184.3164]
_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  0.0000  0.6086  1.0
  Ho  Ho1  2  0.0000  0.0000  0.2968  1.0
  Tl  Tl2  2  0.0000  0.0000  0.9446  1.0
]