data_NaBTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97
_cell_length_b   5.94
_cell_length_c   3.35
_cell_angle_alpha   74.15
_cell_angle_beta   73.16
_cell_angle_gamma   32.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaBTe
_chemical_formula_sum   'Na1 B1 Te1'
_cell_volume   61.49
_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  0.33  0.41  0.16  1.0
  B  B0  1  0.33  0.41  0.51  1.0
  Te  Te2  1  0.33  0.41  0.19  1.0

data_NaBTe
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.35
_cell_length_b   10.93
_cell_length_c   3.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   NaBTe
_chemical_formula_sum   'Na2 B2 Te2'
_cell_volume   123.04
_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  0.5  1.0
  B  B1  2  0.0  0.5  0.84  1.0
  Te  Te2  2  0.0  0.5  0.53  1.0

Na B Te
Na B Te 0 2 o o o 0 1 o o o 1 2 o o o 