data_[Nd1Al1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.8902]
_cell_length_b [18.6968]
_cell_length_c [8.1106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1724]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [NdAlTe3]
_chemical_formula_sum '[Nd1 Al1 Te3]'
_cell_volume [574.3911]
_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  1  0.7864  0.5000  0.0803  1
  Al  Al1  1  0.5528  0.5000  0.7050  1
  Te  Te2  2  0.1337  0.4011  0.8341  1
  Te  Te3  1  0.3971  0.5000  0.3797  1
]