data_[Be2Co1Hg1]
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 [P4mm]
_cell_length_a [2.8513]
_cell_length_b [2.8513]
_cell_length_c [5.8891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Be2CoHg]
_chemical_formula_sum '[Be2 Co1 Hg1]'
_cell_volume [47.8777]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0591  1
  Be  Be1  1  0.5000  0.5000  0.2603  1
  Co  Co2  1  0.0000  0.0000  0.4215  1
  Hg  Hg3  1  0.5000  0.5000  0.7591  1
]