data_[Cu8Hg4P4O24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.8261]
_cell_length_b [11.9274]
_cell_length_c [5.6847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.3174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Cu2HgPO6]
_chemical_formula_sum '[Cu8 Hg4 P4 O24]'
_cell_volume [531.6978]
_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
[
  Cu  Cu0  8  0.1156  0.4158  0.1392  1
  Hg  Hg1  4  0.0000  0.1052  0.2500  1
  P  P2  4  0.0000  0.1896  0.7500  1
  O  O3  8  0.0960  0.2555  0.0064  1
  O  O4  8  0.1190  0.1044  0.6879  1
  O  O5  8  0.1306  0.4397  0.4907  1
]