data_FeBCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   3.52
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   106.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBCl2
_chemical_formula_sum   'Fe1 B1 Cl2'
_cell_volume   77.91
_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  0.08  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.2  0.76  0.55  1.0
  Cl  Cl2  1  0.33  0.76  0.78  1.0

data_FeBCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.16
_cell_length_c   5.57
_cell_angle_alpha   106.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeBCl2
_chemical_formula_sum   'Fe1 B1 Cl2'
_cell_volume   77.91
_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  0.0  0.92  0.0  1.0
  B  B1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.24  0.67  0.22  1.0
  Cl  Cl3  1  0.24  0.8  0.45  1.0

Fe B Cl Cl