data_Co2PdBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.11
_cell_length_b   8.11
_cell_length_c   8.11
_cell_angle_alpha   21.12
_cell_angle_beta   21.12
_cell_angle_gamma   21.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2PdBr
_chemical_formula_sum   'Co2 Pd1 Br1'
_cell_volume   60.58
_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
  Co  Co1  1  0.0  0.0  0.96  1.0
  Co  Co2  1  0.0  0.0  0.81  1.0
  Pd  Pd3  1  0.0  0.0  0.88  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_Co2PdBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.15
_cell_length_b   2.97
_cell_length_c   8.11
_cell_angle_alpha   90.0
_cell_angle_beta   102.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Co2PdBr
_chemical_formula_sum   'Co4 Pd2 Br2'
_cell_volume   121.16
_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
  Co  Co0  2  0.0  0.0  0.04  1.0
  Co  Co1  2  0.0  0.0  0.19  1.0
  Pd  Pd2  2  0.0  0.0  0.12  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

Co Co Pd Br