data_[La12Os4Se2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [C2/m]
_cell_length_a [19.0749]
_cell_length_b [4.2376]
_cell_length_c [8.9983]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0506]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Os2SeCl3]
_chemical_formula_sum '[La12 Os4 Se2 Cl6]'
_cell_volume [698.9942]
_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
[
  La  La0  4  0.0192  0.0000  0.2525  1.0
  La  La1  4  0.1695  0.5000  0.1308  1.0
  La  La2  4  0.1751  0.5000  0.5608  1.0
  Os  Os3  4  0.1665  0.0000  0.3372  1.0
  Se  Se4  2  0.0000  0.5000  0.0000  1.0
  Cl  Cl5  4  0.1596  0.0000  0.8440  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5000  1.0
]