data_[Be2Co2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.5294]
_cell_length_b [2.8776]
_cell_length_c [11.7874]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [BeCoHg2]
_chemical_formula_sum '[Be2 Co2 Hg4]'
_cell_volume [153.6325]
_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  2  0.5000  0.0000  0.6052  1
  Co  Co1  2  0.5000  0.0000  0.2387  1
  Hg  Hg2  2  0.0000  0.0000  0.7227  1
  Hg  Hg3  2  0.5000  0.0000  0.9333  1
]