data_[Be2Hg1Pt1]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0560]
_cell_length_b [3.0560]
_cell_length_c [5.8414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Be2HgPt]
_chemical_formula_sum '[Be2 Hg1 Pt1]'
_cell_volume [54.5525]
_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  0.9973  1
  Be  Be1  1  0.5000  0.5000  0.2126  1
  Hg  Hg2  1  0.0000  0.0000  0.4576  1
  Pt  Pt3  1  0.5000  0.5000  0.8325  1
]