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 [Pm]
_cell_length_a [4.4277]
_cell_length_b [5.6636]
_cell_length_c [6.9751]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1129]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [SrHgP]
_chemical_formula_sum '[Sr2 Hg2 P2]'
_cell_volume [174.8800]
_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  0.4123  0.5000  0.3231  1
  Sr  Sr1  1  0.4179  0.0000  0.7582  1
  Hg  Hg2  1  0.7833  0.5000  0.8682  1
  Hg  Hg3  1  0.9943  0.0000  0.1426  1
  P  P4  2  0.9149  0.2005  0.5145  1
]