data_ZrBTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   28.8
_cell_angle_beta   28.8
_cell_angle_gamma   28.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBTe2
_chemical_formula_sum   'Zr1 B1 Te2'
_cell_volume   84.84
_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
  Zr  Zr3  1  0.0  0.0  0.7  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.0  0.63  1.0
  Te  Te2  1  0.0  0.0  0.78  1.0

data_ZrBTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.42
_cell_length_b   3.71
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   106.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrBTe2
_chemical_formula_sum   'Zr2 B2 Te4'
_cell_volume   169.67
_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
  Zr  Zr0  2  0.0  0.0  0.3  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.22  1.0
  Te  Te3  2  0.0  0.0  0.37  1.0

Zr B Te Te
Zr B Te Te 0 2 o o o 0 3 o o o 1 3 o o - 