data_[Ba4Sr5Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [10.1861]
_cell_length_b [4.3408]
_cell_length_c [13.0615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8375]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4Sr5Hg2]
_chemical_formula_sum '[Ba4 Sr5 Hg2]'
_cell_volume [570.6725]
_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  0.1755  0.5000  0.4262  1
  Ba  Ba1  2  0.1779  0.5000  0.8342  1
  Sr  Sr2  2  0.1673  0.0000  0.1298  1
  Sr  Sr3  2  0.4536  0.0000  0.6661  1
  Sr  Sr4  1  0.5000  0.0000  0.0000  1
  Hg  Hg5  2  0.1052  0.0000  0.6289  1
]