data_[Sr8Hg4P8]
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 [Cmc2_1]
_cell_length_a [4.3591]
_cell_length_b [16.6762]
_cell_length_c [7.5399]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HgP2]
_chemical_formula_sum '[Sr8 Hg4 P8]'
_cell_volume [548.0951]
_cell_formula_units_Z [4]
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  4  0.0000  0.0355  0.7381  1.0
  Sr  Sr1  4  0.0000  0.2027  0.3873  1.0
  Hg  Hg2  4  0.0000  0.4015  0.5813  1.0
  P  P3  4  0.0000  0.1765  0.9859  1.0
  P  P4  4  0.0000  0.4367  0.9418  1.0
]