data_[Rb4Y4Hg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  Hg  2.0000  1.5000  1.2450
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2861]
_cell_length_b [15.6953]
_cell_length_c [11.1720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbYHgSe3]
_chemical_formula_sum '[Rb4 Y4 Hg4 Se12]'
_cell_volume [751.5498]
_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  0.0000  0.2537  0.2500  1.0
  Y  Y1  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  4  0.0000  0.4549  0.7500  1.0
  Se  Se3  8  0.0000  0.3762  0.5422  1.0
  Se  Se4  4  0.0000  0.0660  0.7500  1.0
]