data_[Ca4Hg10Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Hg  2.0000  1.5000  1.2450
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.0986]
_cell_length_b [12.8819]
_cell_length_c [4.8111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca2Hg5Bi]
_chemical_formula_sum '[Ca4 Hg10 Bi2]'
_cell_volume [439.9426]
_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
[
  Ca  Ca0  4  0.2315  0.6196  0.5000  1.0
  Hg  Hg1  4  0.0389  0.2498  0.0000  1.0
  Hg  Hg2  4  0.2035  0.8681  0.5000  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi4  2  0.0000  0.5000  0.0000  1.0
]