data_[La18Mg6Os6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [R3c]
_cell_length_a [8.4080]
_cell_length_b [8.4080]
_cell_length_c [15.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [161]
_chemical_formula_structural [La3MgOs]
_chemical_formula_sum '[La18 Mg6 Os6]'
_cell_volume [950.8005]
_cell_formula_units_Z [6]
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  18  0.0959  0.3674  0.2846  1
  Mg  Mg1  6  0.0000  0.0000  0.4264  1
  Os  Os2  6  0.0000  0.0000  0.2379  1
]