data_NaInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   105.76
_cell_angle_beta   105.76
_cell_angle_gamma   117.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInTe2
_chemical_formula_sum   'Na2 In2 Te4'
_cell_volume   256.42
_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
  Na  Na2  1  0.0  0.0  0.44  1.0
  Na  Na3  1  0.0  0.0  0.81  1.0
  In  In0  1  0.0  0.2  0.81  1.0
  In  In1  1  0.2  0.0  0.81  1.0
  Te  Te4  1  0.76  0.56  0.0  1.0
  Te  Te5  1  0.44  0.64  0.63  1.0
  Te  Te6  1  0.56  0.64  0.0  1.0
  Te  Te7  1  0.64  0.56  0.63  1.0

data_NaInTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.96
_cell_length_b   6.96
_cell_length_c   6.96
_cell_angle_alpha   105.76
_cell_angle_beta   105.76
_cell_angle_gamma   117.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInTe2
_chemical_formula_sum   'Na2 In2 Te4'
_cell_volume   256.42
_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
  Na  Na0  1  0.0  0.0  0.44  1.0
  Na  Na1  1  0.0  0.0  0.81  1.0
  In  In2  1  0.0  0.2  0.81  1.0
  In  In3  1  0.2  0.0  0.81  1.0
  Te  Te4  1  0.44  0.64  0.63  1.0
  Te  Te5  1  0.56  0.64  0.0  1.0
  Te  Te6  1  0.64  0.56  0.63  1.0
  Te  Te7  1  0.76  0.56  0.0  1.0

Na Na In In Te Te Te Te
Na Na In In Te Te Te Te 0 6 - - o 0 2 o o o 0 4 - - o 0 3 o o o 0 1 o o o 1 2 o o o 1 3 o o o 4 6 o o o 5 7 o o o 