data_[Li1Cd2Ga1Hg6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.8398]
_cell_length_b [6.0551]
_cell_length_c [7.1334]
_cell_angle_alpha [86.2834]
_cell_angle_beta [87.2554]
_cell_angle_gamma [83.1448]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCd2GaHg6]
_chemical_formula_sum '[Li1 Cd2 Ga1 Hg6]'
_cell_volume [249.7095]
_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
[
  Li  Li0  1  0.3388  0.3151  0.3183  1.0
  Cd  Cd1  1  0.0786  0.0400  0.0849  1.0
  Cd  Cd2  1  0.5511  0.5983  0.5757  1.0
  Ga  Ga3  1  0.8261  0.8372  0.8112  1.0
  Hg  Hg4  1  0.0569  0.6976  0.4312  1.0
  Hg  Hg5  1  0.2004  0.5343  0.9555  1.0
  Hg  Hg6  1  0.4113  0.1051  0.6935  1.0
  Hg  Hg7  1  0.5756  0.9080  0.2051  1.0
  Hg  Hg8  1  0.6973  0.4230  0.0606  1.0
  Hg  Hg9  1  0.9256  0.2029  0.5257  1.0
]