[CIF]
data_Hg2P4Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84569994
_cell_length_b   5.79943434
_cell_length_c   7.23617276
_cell_angle_alpha   90.00000000
_cell_angle_beta   91.80754038
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Hg2P4Se
_chemical_formula_sum   'Hg4 P8 Se2'
_cell_volume   412.97618457
_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
  Hg  Hg0  1  6.50995951  0.00971057  0.04568302  1
  Hg  Hg1  1  3.22161767  0.00971057  3.57060306  1
  Hg  Hg2  1  3.10749491  5.78972377  7.18688914  1
  Hg  Hg3  1  6.39583675  5.78972377  3.66196911  1
  P  P4  1  6.02139113  1.64041141  1.85988183  1
  P  P5  1  3.71018605  1.64041141  1.75640426  1
  P  P6  1  3.59606329  4.15902293  5.37269034  1
  P  P7  1  5.90726837  4.15902293  5.47616791  1
  P  P8  1  0.61268135  4.96342953  0.06610759  1
  P  P9  1  9.11889583  4.96342953  3.55017849  1
  P  P10  1  9.00477307  0.83600481  7.16646458  1
  P  P11  1  0.49855859  0.83600481  3.68239367  1
  Se  Se12  1  -0.17118414  3.76220829  5.42442913  1
  Se  Se13  1  -0.05706138  2.03722605  1.80814304  1
[/CIF]
