data_[Y16Hg4Os2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [17.8287]
_cell_length_b [5.2454]
_cell_length_c [6.9260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5533]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y8Hg2Os]
_chemical_formula_sum '[Y16 Hg4 Os2]'
_cell_volume [614.0495]
_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
[
  Y  Y0  4  0.0238  0.0000  0.7929  1.0
  Y  Y1  4  0.0894  0.5000  0.4286  1.0
  Y  Y2  4  0.1550  0.5000  0.9621  1.0
  Y  Y3  4  0.1992  0.0000  0.3048  1.0
  Hg  Hg4  4  0.1829  0.0000  0.7172  1.0
  Os  Os5  2  0.0000  0.5000  0.0000  1.0
]