data_[Rb4Hg4P4Se12]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.2870]
_cell_length_b [8.3414]
_cell_length_c [8.4673]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbHgPSe3]
_chemical_formula_sum '[Rb4 Hg4 P4 Se12]'
_cell_volume [783.9253]
_cell_formula_units_Z [4]
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  4  0.1893  0.5000  0.2214  1.0
  Hg  Hg1  4  0.0000  0.3337  0.5000  1.0
  P  P2  4  0.0219  0.0000  0.1483  1.0
  Se  Se3  8  0.0755  0.2203  0.8307  1.0
  Se  Se4  4  0.2174  0.0000  0.3026  1.0
]