data_[La4Co4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.7142]
_cell_length_b [4.2774]
_cell_length_c [5.1377]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1083]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaCoHg]
_chemical_formula_sum '[La4 Co4 Hg4]'
_cell_volume [275.0724]
_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  0.1287  0.0000  0.3018  1.0
  Co  Co1  4  0.2203  0.0000  0.9146  1.0
  Hg  Hg2  4  0.0812  0.5000  0.7770  1.0
]