data_[Cs4Hg2P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [14.0367]
_cell_length_b [7.2389]
_cell_length_c [7.6262]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4967]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Hg(PSe3)2]
_chemical_formula_sum '[Cs4 Hg2 P4 Se12]'
_cell_volume [750.2251]
_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
[
  Cs  Cs0  4  0.2033  0.5000  0.2070  1
  Hg  Hg1  2  0.0000  0.5000  0.5000  1
  P  P2  4  0.0161  0.0000  0.1613  1
  Se  Se3  8  0.0645  0.2551  0.7935  1
  Se  Se4  4  0.1734  0.0000  0.2739  1
]