data_[Sr4Hg4As4]
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 [C2/m]
_cell_length_a [10.9388]
_cell_length_b [4.6060]
_cell_length_c [7.0836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6966]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrHgAs]
_chemical_formula_sum '[Sr4 Hg4 As4]'
_cell_volume [351.8031]
_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  0.1195  0.5000  0.7814  1.0
  Hg  Hg1  4  0.1103  0.0000  0.4159  1.0
  As  As2  4  0.1771  0.5000  0.2329  1.0
]