data_Na2BiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.26
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   45.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiTe
_chemical_formula_sum   'Na2 Bi1 Te1'
_cell_volume   115.16
_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  0.43  0.0  0.15  1.0
  Na  Na2  1  0.1  0.0  0.66  1.0
  Bi  Bi0  1  0.27  0.0  0.4  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Na2BiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   5.26
_cell_length_c   5.79
_cell_angle_alpha   111.94
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2BiTe
_chemical_formula_sum   'Na2 Bi1 Te1'
_cell_volume   115.16
_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  Na0  1  0.0  0.15  0.43  1.0
  Na  Na1  1  0.0  0.66  0.1  1.0
  Bi  Bi2  1  0.0  0.4  0.27  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Na Na Bi Te