data_[As1Os1Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  As  2.1800  1.1500  0.6600
  Os  2.2000  1.3000  0.6730
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.4920]
_cell_length_b [3.1250]
_cell_length_c [7.4242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8123]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [AsOsCl2]
_chemical_formula_sum '[As1 Os1 Cl2]'
_cell_volume [100.2730]
_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
[
  As  As0  1  0.7144  0.5000  0.3428  1
  Os  Os1  1  0.3489  0.0000  0.3991  1
  Cl  Cl2  1  0.0657  0.0000  0.0894  1
  Cl  Cl3  1  0.3710  0.5000  0.6687  1
]