data_[La4Cu4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Cu  1.9000  1.3500  0.8200
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4305]
_cell_length_b [4.2479]
_cell_length_c [5.3352]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCuHg]
_chemical_formula_sum '[La4 Cu4 Hg4]'
_cell_volume [276.6814]
_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  0.1223  0.0000  0.3044  1.0
  Cu  Cu1  4  0.2266  0.0000  0.8583  1.0
  Hg  Hg2  4  0.0826  0.5000  0.7824  1.0
]