data_[La16Hg2Os4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Hg  2.0000  1.5000  1.2450
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.5809]
_cell_length_b [7.0557]
_cell_length_c [6.6816]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.6138]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La8HgOs2]
_chemical_formula_sum '[La16 Hg2 Os4]'
_cell_volume [726.2566]
_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  0.1318  0.2422  0.3794  1.0
  La  La1  4  0.0706  0.5000  0.8284  1.0
  La  La2  4  0.1997  0.0000  0.8803  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Os  Os4  4  0.2247  0.5000  0.7003  1.0
]