data_OsSe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   152.58
_cell_angle_beta   134.99
_cell_angle_gamma   53.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsSe2Cl
_chemical_formula_sum   'Os1 Se2 Cl1'
_cell_volume   80.56
_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
  Os  Os1  1  0.0  0.0  0.62  1.0
  Se  Se2  1  0.49  0.0  0.59  1.0
  Se  Se3  1  0.0  0.41  0.02  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_OsSe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.98
_cell_length_b   4.81
_cell_length_c   6.29
_cell_angle_alpha   112.5
_cell_angle_beta   103.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   OsSe2Cl
_chemical_formula_sum   'Os1 Se2 Cl1'
_cell_volume   80.56
_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
  Os  Os0  1  0.0  0.62  0.62  1.0
  Se  Se1  1  0.0  0.59  0.1  1.0
  Se  Se2  1  0.59  0.62  0.62  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Os Se Se Cl
Os Se Se Cl 0 2 o o + 0 3 o o + 1 3 o o o 1 3 + o + 1 1 o + + 1 2 + o + 2 3 o o o 