data_[Y4Hg5Ge2]
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
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7776]
_cell_length_b [3.8301]
_cell_length_c [9.1668]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Y4Hg5Ge2]
_chemical_formula_sum '[Y4 Hg5 Ge2]'
_cell_volume [271.7365]
_cell_formula_units_Z [1]
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  2  0.1918  0.5000  0.8564  1.0
  Y  Y1  2  0.2348  0.5000  0.4236  1.0
  Hg  Hg2  2  0.1525  0.0000  0.1320  1.0
  Hg  Hg3  2  0.4632  0.0000  0.6708  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0707  0.0000  0.6263  1.0
]