data_[Y4Ga4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Ga  1.8100  1.3000  0.7600
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8647]
_cell_length_b [4.5470]
_cell_length_c [7.3090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [130.9474]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YGaHg]
_chemical_formula_sum '[Y4 Ga4 Hg4]'
_cell_volume [272.7257]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.0444  0.0000  0.7938  1.0
  Ga  Ga1  4  0.1535  0.5000  0.1640  1.0
  Hg  Hg2  4  0.1728  0.5000  0.6027  1.0
]