data_ZnCo2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.73
_cell_length_b   7.73
_cell_length_c   7.73
_cell_angle_alpha   22.31
_cell_angle_beta   22.31
_cell_angle_gamma   22.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCo2Br
_chemical_formula_sum   'Zn1 Co2 Br1'
_cell_volume   58.46
_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  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.0  0.67  1.0
  Co  Co2  1  0.0  0.0  0.94  1.0
  Br  Br0  1  0.0  0.0  0.31  1.0

data_ZnCo2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   102.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCo2Br
_chemical_formula_sum   'Zn2 Co4 Br2'
_cell_volume   116.91
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Co  Co1  2  0.0  0.0  0.06  1.0
  Co  Co2  2  0.0  0.0  0.33  1.0
  Br  Br3  2  0.0  0.0  0.69  1.0

Zn Co Co Br