data_[Cu6Hg2P4]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [6.8543]
_cell_length_b [17.7149]
_cell_length_c [6.8710]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9310]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cu3HgP2]
_chemical_formula_sum '[Cu6 Hg2 P4]'
_cell_volume [821.8033]
_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
[
  Cu  Cu0  2  0.2889  0.4234  0.9559  1
  Cu  Cu1  2  0.6742  0.4241  0.9889  1
  Cu  Cu2  1  0.0569  0.5000  0.6176  1
  Cu  Cu3  1  0.7858  0.5000  0.3310  1
  Hg  Hg4  1  0.1345  0.5000  0.2658  1
  Hg  Hg5  1  0.4612  0.5000  0.6640  1
  P  P6  2  0.5035  0.4321  0.2431  1
  P  P7  2  0.9586  0.4358  0.8729  1
]