data_[La16Hg4Os4]
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/c]
_cell_length_a [9.4548]
_cell_length_b [15.2720]
_cell_length_c [7.0980]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La4HgOs]
_chemical_formula_sum '[La16 Hg4 Os4]'
_cell_volume [835.6735]
_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  0.1551  0.2130  0.1549  1.0
  La  La1  8  0.2270  0.0394  0.7266  1.0
  Hg  Hg2  4  0.0000  0.3802  0.7500  1.0
  Os  Os3  4  0.0000  0.0871  0.2500  1.0
]