data_[Cr6Hg1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2183]
_cell_length_b [7.2183]
_cell_length_c [3.1541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Cr6HgP4]
_chemical_formula_sum '[Cr6 Hg1 P4]'
_cell_volume [142.3262]
_cell_formula_units_Z [1]
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
[
  Cr  Cr0  3  0.0720  0.5360  0.0000  1
  Cr  Cr1  3  0.3907  0.1954  0.5000  1
  Hg  Hg2  1  0.0000  0.0000  0.0000  1
  P  P3  3  0.1908  0.3816  0.5000  1
  P  P4  1  0.6667  0.3333  0.0000  1
]