data_[Hg2Te6P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hg  2.0000  1.5000  1.2450
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.0641]
_cell_length_b [7.0901]
_cell_length_c [8.2708]
_cell_angle_alpha [96.6331]
_cell_angle_beta [105.6692]
_cell_angle_gamma [118.4969]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HgTe3P]
_chemical_formula_sum '[Hg2 Te6 P2]'
_cell_volume [335.5919]
_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
[
  Hg  Hg0  2  0.1343  0.7503  0.3480  1
  Te  Te1  2  0.0564  0.3207  0.1931  1
  Te  Te2  2  0.2749  0.2345  0.7355  1
  Te  Te3  2  0.4788  0.8755  0.7093  1
  P  P4  2  0.4622  0.4437  0.3494  1
]