data_ZnBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.4
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBTe2
_chemical_formula_sum   'Zn1 B1 Te2'
_cell_volume   98.32
_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  0.03  0.2  0.1  1.0
  B  B0  1  0.0  0.0  0.26  1.0
  Te  Te1  1  0.0  0.2  0.3  1.0
  Te  Te2  1  0.03  0.0  0.57  1.0

data_ZnBTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.07
_cell_length_b   4.4
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnBTe2
_chemical_formula_sum   'Zn1 B1 Te2'
_cell_volume   98.32
_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  Zn0  1  0.03  0.2  0.1  1.0
  B  B1  1  0.0  0.0  0.26  1.0
  Te  Te2  1  0.0  0.2  0.3  1.0
  Te  Te3  1  0.03  0.0  0.57  1.0

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