data_[Cu4Hg4P4O16]
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/m]
_cell_length_a [8.5685]
_cell_length_b [6.1999]
_cell_length_c [8.4128]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CuHgPO4]
_chemical_formula_sum '[Cu4 Hg4 P4 O16]'
_cell_volume [411.4499]
_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  4  0.1462  0.5000  0.6645  1
  Hg  Hg1  4  0.0542  0.0000  0.8766  1
  P  P2  4  0.2325  0.5000  0.3442  1
  O  O3  8  0.1891  0.1940  0.7218  1
  O  O4  4  0.0378  0.5000  0.2543  1
  O  O5  4  0.2032  0.0000  0.4567  1
]