data_[Nd4Tl5Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.0707]
_cell_length_b [3.7557]
_cell_length_c [9.8057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.3584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4Tl5Cu2]
_chemical_formula_sum '[Nd4 Tl5 Cu2]'
_cell_volume [296.7097]
_cell_formula_units_Z [1]
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  0.1973  0.5000  0.8511  1.0
  Nd  Nd1  2  0.2228  0.5000  0.4232  1.0
  Tl  Tl2  2  0.1465  0.0000  0.1400  1.0
  Tl  Tl3  2  0.4476  0.0000  0.6630  1.0
  Tl  Tl4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0699  0.0000  0.6223  1.0
]