data_[Ba6Sr14Hg8]
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 [C2/m]
_cell_length_a [22.2944]
_cell_length_b [4.3253]
_cell_length_c [14.8441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba3Sr7Hg4]
_chemical_formula_sum '[Ba6 Sr14 Hg8]'
_cell_volume [1248.1736]
_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  4  0.1999  0.5000  0.1925  1
  Ba  Ba1  2  0.0000  0.0000  0.5000  1
  Sr  Sr2  4  0.0159  0.5000  0.2549  1
  Sr  Sr3  4  0.1584  0.0000  0.9048  1
  Sr  Sr4  4  0.1812  0.5000  0.5269  1
  Sr  Sr5  2  0.0000  0.0000  0.0000  1
  Hg  Hg6  4  0.1345  0.5000  0.7143  1
  Hg  Hg7  4  0.1437  0.0000  0.3255  1
]