data_[La12Os4Cl4]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [11.3968]
_cell_length_b [11.8020]
_cell_length_c [4.1206]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [La3OsCl]
_chemical_formula_sum '[La12 Os4 Cl4]'
_cell_volume [554.2455]
_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
[
  La  La0  4  0.0000  0.1450  0.0000  1.0
  La  La1  4  0.1922  0.5000  0.0000  1.0
  La  La2  4  0.2500  0.2500  0.5000  1.0
  Os  Os3  4  0.1348  0.0000  0.5000  1.0
  Cl  Cl4  4  0.0000  0.3533  0.5000  1.0
]