data_NaBiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.03
_cell_length_b   9.02
_cell_length_c   3.27
_cell_angle_alpha   79.75
_cell_angle_beta   79.37
_cell_angle_gamma   20.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBiTe
_chemical_formula_sum   'Na1 Bi1 Te1'
_cell_volume   93.38
_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  0.29  0.33  0.76  1.0
  Bi  Bi0  1  0.29  0.33  0.32  1.0
  Te  Te2  1  0.29  0.33  0.37  1.0

data_NaBiTe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.27
_cell_length_b   17.45
_cell_length_c   3.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NaBiTe
_chemical_formula_sum   'Na2 Bi2 Te2'
_cell_volume   186.79
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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  0.5  0.09  1.0
  Bi  Bi1  2  0.0  0.5  0.66  1.0
  Te  Te2  2  0.0  0.5  0.71  1.0

Na Bi Te