data_[Sr2Hg2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Hg  2.0000  1.5000  1.2450
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.3423]
_cell_length_b [5.5982]
_cell_length_c [7.6672]
_cell_angle_alpha [89.9746]
_cell_angle_beta [89.5942]
_cell_angle_gamma [67.4029]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrHgP]
_chemical_formula_sum '[Sr2 Hg2 P2]'
_cell_volume [172.0676]
_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
[
  Sr  Sr0  1  0.5710  0.8772  0.2925  1.0
  Sr  Sr1  1  0.8352  0.3350  0.6404  1.0
  Hg  Hg2  1  0.1381  0.7670  0.9417  1.0
  Hg  Hg3  1  0.8418  0.3435  0.0730  1.0
  P  P4  1  0.1323  0.7460  0.5686  1.0
  P  P5  1  0.2824  0.4469  0.3626  1.0
]