data_Na2InTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.8
_cell_length_b   5.8
_cell_length_c   5.8
_cell_angle_alpha   129.17
_cell_angle_beta   129.17
_cell_angle_gamma   74.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2InTe
_chemical_formula_sum   'Na2 In1 Te1'
_cell_volume   114.08
_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  0.49  0.0  0.3  1.0
  Na  Na2  1  0.0  0.49  0.3  1.0
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0

data_Na2InTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.04
_cell_length_b   7.04
_cell_length_c   5.8
_cell_angle_alpha   90.0
_cell_angle_beta   127.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2InTe
_chemical_formula_sum   'Na4 In2 Te2'
_cell_volume   228.16
_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  4  0.44  0.26  0.18  1.0
  In  In1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.39  0.0  0.39  1.0

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