data_[Ba4Hg5Ge2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [8.5134]
_cell_length_b [4.5874]
_cell_length_c [9.7736]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0504]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Hg5Ge2]
_chemical_formula_sum '[Ba4 Hg5 Ge2]'
_cell_volume [381.7027]
_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
[
  Ba  Ba0  2  0.2153  0.5000  0.1508  1.0
  Ba  Ba1  2  0.2437  0.5000  0.6127  1.0
  Hg  Hg2  2  0.1240  0.0000  0.8773  1.0
  Hg  Hg3  2  0.4238  0.0000  0.3552  1.0
  Hg  Hg4  1  0.5000  0.0000  0.0000  1.0
  Ge  Ge5  2  0.0612  0.0000  0.3854  1.0
]