data_[Os4Se4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Os  2.2000  1.3000  0.6730
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [7.6402]
_cell_length_b [8.5567]
_cell_length_c [10.6975]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1550]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [OsSeCl3]
_chemical_formula_sum '[Os4 Se4 Cl12]'
_cell_volume [699.3393]
_cell_formula_units_Z [4]
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  4  0.0621  0.3564  0.8749  1.0
  Se  Se1  4  0.0517  0.0840  0.8516  1.0
  Cl  Cl2  4  0.0665  0.3530  0.4194  1.0
  Cl  Cl3  4  0.2320  0.3928  0.6948  1.0
  Cl  Cl4  4  0.3297  0.3375  0.9791  1.0
]