data_NdTl2InTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.18
_cell_length_b   7.18
_cell_length_c   7.18
_cell_angle_alpha   106.6
_cell_angle_beta   106.6
_cell_angle_gamma   115.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdTl2InTe4
_chemical_formula_sum   'Nd1 Tl2 In1 Te4'
_cell_volume   282.09
_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  0.0  0.0  0.83  1.0
  Tl  Tl1  1  0.0  0.29  0.0  1.0
  Tl  Tl2  1  0.29  0.0  0.0  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  Te  Te4  1  0.6  0.4  0.94  1.0
  Te  Te5  1  0.4  0.6  0.94  1.0
  Te  Te6  1  0.68  0.68  0.89  1.0
  Te  Te7  1  0.6  0.6  0.73  1.0

data_NdTl2InTe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.67
_cell_length_b   12.13
_cell_length_c   7.18
_cell_angle_alpha   90.0
_cell_angle_beta   122.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NdTl2InTe4
_chemical_formula_sum   'Nd2 Tl4 In2 Te8'
_cell_volume   564.17
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.17  0.0  0.17  1.0
  Tl  Tl1  4  0.14  0.14  -0.0  1.0
  In  In2  2  0.0  0.0  0.0  1.0
  Te  Te3  4  0.06  0.4  0.06  1.0
  Te  Te4  2  0.29  0.5  0.11  1.0
  Te  Te5  2  0.37  0.5  0.27  1.0

Nd Tl Tl In Te Te Te Te
Nd Tl Tl In Te Te Te Te 0 3 o o + 0 1 o o + 0 2 o o + 1 3 o o o 2 3 o o o 4 7 o o o 4 6 o o o 4 5 o o o 5 7 o o o 5 6 o o o 6 7 o o o 