data_[Nd2Tm4Sc2Tl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  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 [5.0087]
_cell_length_b [9.7740]
_cell_length_c [6.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [NdTm2ScTl2]
_chemical_formula_sum '[Nd2 Tm4 Sc2 Tl4]'
_cell_volume [335.0463]
_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  0.4543  0.9534  1.0
  Tm  Tm1  2  0.0000  0.1842  0.3456  1.0
  Tm  Tm2  2  0.5000  0.0474  0.0520  1.0
  Sc  Sc3  2  0.5000  0.3001  0.6702  1.0
  Tl  Tl4  2  0.0000  0.1340  0.7944  1.0
  Tl  Tl5  2  0.5000  0.3690  0.2299  1.0
]