data_[Sr4Hg2Bi5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.8147]
_cell_length_b [3.9045]
_cell_length_c [10.7411]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4252]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sr4Hg2Bi5]
_chemical_formula_sum '[Sr4 Hg2 Bi5]'
_cell_volume [369.3409]
_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
[
  Sr  Sr0  2  0.1817  0.5000  0.8841  1
  Sr  Sr1  2  0.2701  0.5000  0.4247  1
  Hg  Hg2  2  0.0657  0.0000  0.6255  1
  Bi  Bi3  2  0.1707  0.0000  0.1633  1
  Bi  Bi4  2  0.4199  0.0000  0.6910  1
  Bi  Bi5  1  0.5000  0.0000  0.0000  1
]