data_FeOs2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84
_cell_length_b   5.84
_cell_length_c   3.87
_cell_angle_alpha   101.39
_cell_angle_beta   101.39
_cell_angle_gamma   26.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOs2Cl
_chemical_formula_sum   'Fe1 Os2 Cl1'
_cell_volume   58.26
_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  Fe1  1  0.29  0.0  0.9  1.0
  Os  Os2  1  0.87  0.0  0.1  1.0
  Os  Os3  1  0.71  0.0  0.69  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_FeOs2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.71
_cell_length_b   3.87
_cell_length_c   5.84
_cell_angle_alpha   101.39
_cell_angle_beta   103.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOs2Cl
_chemical_formula_sum   'Fe1 Os2 Cl1'
_cell_volume   58.26
_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  0.9  0.29  1.0
  Os  Os1  1  0.0  0.1  0.87  1.0
  Os  Os2  1  0.0  0.69  0.71  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Fe Os Os Cl
Fe Os Os Cl 0 3 o o + 1 3 + o o 1 2 o o - 2 3 + o + 