data_ZnB2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   23.58
_cell_angle_beta   23.58
_cell_angle_gamma   23.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnB2Te
_chemical_formula_sum   'Zn1 B2 Te1'
_cell_volume   62.12
_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
  Zn  Zn3  1  0.0  0.0  0.8  1.0
  B  B0  1  0.0  0.0  0.75  1.0
  B  B1  1  0.0  0.0  0.93  1.0
  Te  Te2  1  0.0  0.0  0.05  1.0

data_ZnB2Te
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.39
_cell_length_b   3.11
_cell_length_c   7.62
_cell_angle_alpha   90.0
_cell_angle_beta   103.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnB2Te
_chemical_formula_sum   'Zn2 B4 Te2'
_cell_volume   124.24
_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
  Zn  Zn0  2  -0.0  0.0  0.2  1.0
  B  B1  2  -0.0  0.0  0.25  1.0
  B  B2  2  -0.0  0.0  0.07  1.0
  Te  Te3  2  -0.0  0.0  0.95  1.0

Zn B B Te
Zn B B Te 0 1 o o o 0 2 o o o 2 3 o o + 