data_[La12Os4C12]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [8.9969]
_cell_length_b [10.9783]
_cell_length_c [5.5229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3OsC3]
_chemical_formula_sum '[La12 Os4 C12]'
_cell_volume [545.4926]
_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  8  0.2066  0.3781  0.2500  1
  La  La1  4  0.0000  0.1087  0.2500  1
  Os  Os2  4  0.0000  0.3018  0.7500  1
  C  C3  8  0.1966  0.3698  0.7500  1
  C  C4  4  0.0000  0.1243  0.7500  1
]