data_ZrSbBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.99
_cell_length_b   7.95
_cell_length_c   3.28
_cell_angle_alpha   78.81
_cell_angle_beta   77.47
_cell_angle_gamma   23.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSbBr
_chemical_formula_sum   'Zr1 Sb1 Br1'
_cell_volume   81.7
_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  0.25  0.38  0.22  1.0
  Sb  Sb1  1  0.25  0.38  0.68  1.0
  Br  Br0  1  0.25  0.38  0.6  1.0

data_ZrSbBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.5
_cell_length_b   15.25
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   133.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrSbBr
_chemical_formula_sum   'Zr2 Sb2 Br2'
_cell_volume   163.4
_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  0.38  0.0  0.53  1.0
  Sb  Sb1  2  0.38  0.0  0.07  1.0
  Br  Br2  2  0.38  0.0  0.15  1.0

Zr Sb Br