data_[Co3Hg6P3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1742]
_cell_length_b [3.1742]
_cell_length_c [26.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [CoHg2P]
_chemical_formula_sum '[Co3 Hg6 P3]'
_cell_volume [228.5465]
_cell_formula_units_Z [3]
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
[
  Co  Co0  3  0.0000  0.0000  0.2358  1
  Hg  Hg1  3  0.0000  0.0000  0.7555  1
  Hg  Hg2  3  0.0000  0.0000  0.9835  1
  P  P3  3  0.0000  0.0000  0.5253  1
]