data_[Be4Hg2As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Hg  2.0000  1.5000  1.2450
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.7586]
_cell_length_b [4.2138]
_cell_length_c [17.6237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Be2HgAs2]
_chemical_formula_sum '[Be4 Hg2 As4]'
_cell_volume [650.4300]
_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
[
  Be  Be0  4  0.1176  0.2507  0.5368  1
  Hg  Hg1  2  0.3673  0.0000  0.5736  1
  As  As2  2  0.0235  0.0000  0.4282  1
  As  As3  2  0.1981  0.5000  0.4247  1
]