data_[Ba2Sr4Hg4]
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_1/m]
_cell_length_a [6.3881]
_cell_length_b [5.4425]
_cell_length_c [12.1546]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6760]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ba(SrHg)2]
_chemical_formula_sum '[Ba2 Sr4 Hg4]'
_cell_volume [415.2670]
_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
[
  Ba  Ba0  2  0.4090  0.7500  0.2125  1.0
  Sr  Sr1  2  0.1184  0.7500  0.8788  1.0
  Sr  Sr2  2  0.2423  0.7500  0.5331  1.0
  Hg  Hg3  2  0.2274  0.2500  0.3647  1.0
  Hg  Hg4  2  0.3447  0.2500  0.0223  1.0
]