data_ZrBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.48
_cell_length_b   6.19
_cell_length_c   2.45
_cell_angle_alpha   85.7
_cell_angle_beta   72.17
_cell_angle_gamma   22.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBr2
_chemical_formula_sum   'Zr1 Br2'
_cell_volume   28.65
_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  Zr2  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.07  0.2  0.06  1.0
  Br  Br1  1  0.07  0.2  0.13  1.0

data_ZrBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.13
_cell_length_b   2.45
_cell_length_c   6.19
_cell_angle_alpha   85.7
_cell_angle_beta   80.08
_cell_angle_gamma   64.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBr2
_chemical_formula_sum   'Zr1 Br2'
_cell_volume   28.65
_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  Zr0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.93  0.12  0.27  1.0
  Br  Br2  1  0.93  0.2  0.27  1.0

Zr Br Br