data_[Rb2Hg4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.8134]
_cell_length_b [7.4301]
_cell_length_c [8.2527]
_cell_angle_alpha [113.7678]
_cell_angle_beta [101.5475]
_cell_angle_gamma [98.8931]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Rb(HgSe)2]
_chemical_formula_sum '[Rb2 Hg4 Se4]'
_cell_volume [361.4911]
_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
[
  Rb  Rb0  2  0.2344  0.2789  0.9464  1
  Hg  Hg1  2  0.1991  0.4866  0.5198  1
  Hg  Hg2  2  0.3734  0.0061  0.2503  1
  Se  Se3  2  0.2107  0.7608  0.9181  1
  Se  Se4  2  0.4855  0.2881  0.5816  1
]