data_FeOsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.98
_cell_length_b   2.98
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   124.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOsCl2
_chemical_formula_sum   'Fe1 Os1 Cl2'
_cell_volume   59.21
_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  Fe2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.03  1.0
  Cl  Cl0  1  0.39  0.0  0.22  1.0
  Cl  Cl1  1  0.39  0.0  0.85  1.0

data_FeOsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.98
_cell_length_c   8.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   117.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeOsCl2
_chemical_formula_sum   'Fe1 Os1 Cl2'
_cell_volume   59.21
_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  0.0  0.0  1.0
  Os  Os1  1  0.0  0.0  0.03  1.0
  Cl  Cl2  1  0.0  0.39  0.22  1.0
  Cl  Cl3  1  0.0  0.39  0.85  1.0

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