data_[Be1Cr2Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cr  1.6600  1.4000  0.9400
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7151]
_cell_length_b [3.7485]
_cell_length_c [5.3720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3828]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [BeCr2Hg]
_chemical_formula_sum '[Be1 Cr2 Hg1]'
_cell_volume [54.0893]
_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  0.3750  0.5000  0.8062  1
  Cr  Cr1  1  0.7846  0.5000  0.1950  1
  Cr  Cr2  1  0.9827  0.0000  0.9895  1
  Hg  Hg3  1  0.3577  0.0000  0.5094  1
]