data_NaInTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   128.92
_cell_angle_beta   128.92
_cell_angle_gamma   75.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaInTe2
_chemical_formula_sum   'Na1 In1 Te2'
_cell_volume   117.84
_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
  Na  Na1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.63  1.0
  Te  Te2  1  0.52  0.0  0.32  1.0
  Te  Te3  1  0.0  0.52  0.32  1.0

data_NaInTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   127.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaInTe2
_chemical_formula_sum   'Na2 In2 Te4'
_cell_volume   235.68
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.63  1.0
  Te  Te2  4  0.24  0.76  0.8  1.0

Na In Te Te
Na In Te Te 0 3 o o o 0 2 o o o 0 1 o o - 1 2 - o o 1 3 o - o 