data_[Cu2Os2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Os  2.2000  1.3000  0.6730
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pmc2_1]
_cell_length_a [3.4369]
_cell_length_b [6.1616]
_cell_length_c [5.2741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [CuOsSO]
_chemical_formula_sum '[Cu2 Os2 S2 O2]'
_cell_volume [111.6898]
_cell_formula_units_Z [2]
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
[
  Cu  Cu0  2  0.0000  0.1454  0.5636  1
  Os  Os1  2  0.5000  0.4353  0.0579  1
  S  S2  2  0.0000  0.2099  0.1538  1
  O  O3  2  0.5000  0.2699  0.7157  1
]