data_FeCoBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.58
_cell_length_b   3.6
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   97.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoBr2
_chemical_formula_sum   'Fe1 Co1 Br2'
_cell_volume   86.91
_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
  Fe  Fe3  1  0.1  0.0  0.34  1.0
  Co  Co2  1  0.79  0.8  0.05  1.0
  Br  Br0  1  0.44  0.8  0.08  1.0
  Br  Br1  1  0.89  0.0  0.4  1.0

data_FeCoBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   3.6
_cell_length_c   6.8
_cell_angle_alpha   90.0
_cell_angle_beta   97.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoBr2
_chemical_formula_sum   'Fe1 Co1 Br2'
_cell_volume   86.91
_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
  Fe  Fe0  1  0.1  0.0  0.34  1.0
  Co  Co1  1  0.79  0.8  0.05  1.0
  Br  Br2  1  0.44  0.8  0.08  1.0
  Br  Br3  1  0.89  0.0  0.4  1.0

Fe Co Br Br