data_[Sr2Hg2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.8681]
_cell_length_b [4.7940]
_cell_length_c [8.5449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.4661]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrHgCl]
_chemical_formula_sum '[Sr2 Hg2 Cl2]'
_cell_volume [198.1492]
_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  2  0.2869  0.2500  0.7053  1
  Hg  Hg1  2  0.1922  0.7500  0.9918  1
  Cl  Cl2  2  0.2516  0.7500  0.4971  1
]