data_[Sr4Hg2Bi2As2]
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
  Bi  2.0200  1.6000  1.0350
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.1635]
_cell_length_b [4.6764]
_cell_length_c [9.5670]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4454]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Sr2HgBiAs]
_chemical_formula_sum '[Sr4 Hg2 Bi2 As2]'
_cell_volume [350.2884]
_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  0.1870  0.2500  0.4006  1.0
  Sr  Sr1  2  0.2200  0.2500  0.9779  1.0
  Hg  Hg2  2  0.4930  0.7500  0.2618  1.0
  Bi  Bi3  2  0.2784  0.7500  0.7032  1.0
  As  As4  2  0.1602  0.7500  0.1813  1.0
]