data_[La4Ga4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [11.1080]
_cell_length_b [4.7794]
_cell_length_c [7.7149]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.7623]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaGaHg]
_chemical_formula_sum '[La4 Ga4 Hg4]'
_cell_volume [300.7061]
_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
[
  La  La0  4  0.0336  0.0000  0.7879  1.0
  Ga  Ga1  4  0.1531  0.5000  0.6109  1.0
  Hg  Hg2  4  0.1735  0.5000  0.2301  1.0
]