data_[La12Os4N2Cl6]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9952]
_cell_length_b [12.1184]
_cell_length_c [7.9119]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2956]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La6Os2NCl3]
_chemical_formula_sum '[La12 Os4 N2 Cl6]'
_cell_volume [640.3784]
_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  8  0.2237  0.1578  0.1980  1.0
  La  La1  4  0.2485  0.0000  0.8021  1.0
  Os  Os2  4  0.0000  0.3335  0.0000  1.0
  N  N3  2  0.0000  0.0000  0.0000  1.0
  Cl  Cl4  4  0.0000  0.1690  0.5000  1.0
  Cl  Cl5  2  0.0000  0.5000  0.5000  1.0
]