data_[Sr8Hg4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4946]
_cell_length_b [17.1046]
_cell_length_c [7.6726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2HgAs2]
_chemical_formula_sum '[Sr8 Hg4 As8]'
_cell_volume [589.8551]
_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  0.0327  0.7603  1.0
  Sr  Sr1  4  0.0000  0.2025  0.1126  1.0
  Hg  Hg2  4  0.0000  0.4031  0.9205  1.0
  As  As3  4  0.0000  0.1771  0.5192  1.0
  As  As4  4  0.0000  0.4346  0.5530  1.0
]