data_Zr2RhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.2
_cell_length_b   4.66
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhBr
_chemical_formula_sum   'Zr2 Rh1 Br1'
_cell_volume   78.42
_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  0.94  0.0  0.63  1.0
  Zr  Zr3  1  0.9  0.33  0.98  1.0
  Rh  Rh1  1  0.33  0.33  0.45  1.0
  Br  Br0  1  0.26  0.0  0.09  1.0

data_Zr2RhBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.66
_cell_length_c   5.45
_cell_angle_alpha   90.0
_cell_angle_beta   105.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2RhBr
_chemical_formula_sum   'Zr2 Rh1 Br1'
_cell_volume   78.42
_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  0.9  0.33  0.98  1.0
  Zr  Zr1  1  0.94  0.0  0.63  1.0
  Rh  Rh2  1  0.33  0.33  0.45  1.0
  Br  Br3  1  0.26  0.0  0.09  1.0

Zr Zr Rh Br
Zr Zr Rh Br 0 2 o o o 0 2 + o o 0 1 o o o 0 3 + o + 1 3 + o + 1 2 + o + 2 3 o o o 