data_[Nd2Ho4Sc2Tl4]
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
  Sc  1.3600  1.6000  0.8850
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [5.0307]
_cell_length_b [9.8232]
_cell_length_c [6.9395]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdHo2ScTl2]
_chemical_formula_sum '[Nd2 Ho4 Sc2 Tl4]'
_cell_volume [342.9304]
_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  0.4528  0.9541  1.0
  Ho  Ho1  2  0.0000  0.1847  0.3465  1.0
  Ho  Ho2  2  0.5000  0.0491  0.0522  1.0
  Sc  Sc3  2  0.5000  0.3011  0.6678  1.0
  Tl  Tl4  2  0.0000  0.1355  0.7932  1.0
  Tl  Tl5  2  0.5000  0.3729  0.2317  1.0
]