data_[Nd12Tl2Te6P4]
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
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2966]
_cell_length_b [4.3020]
_cell_length_c [8.9918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6TlTe3P2]
_chemical_formula_sum '[Nd12 Tl2 Te6 P4]'
_cell_volume [722.6010]
_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  4  0.0107  0.0000  0.2563  1.0
  Nd  Nd1  4  0.1685  0.5000  0.1111  1.0
  Nd  Nd2  4  0.1750  0.5000  0.5634  1.0
  Tl  Tl3  2  0.0000  0.5000  0.0000  1.0
  Te  Te4  4  0.1635  0.0000  0.8306  1.0
  Te  Te5  2  0.0000  0.5000  0.5000  1.0
  P  P6  4  0.1692  0.0000  0.3369  1.0
]