data_[La6Fe1Co1Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Fe  1.8300  1.4000  0.8525
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4544]
_cell_length_b [7.4678]
_cell_length_c [7.5223]
_cell_angle_alpha [60.3188]
_cell_angle_beta [60.3062]
_cell_angle_gamma [89.9488]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La6FeCoHg2]
_chemical_formula_sum '[La6 Fe1 Co1 Hg2]'
_cell_volume [299.0075]
_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
[
  La  La0  1  0.1933  0.3001  0.0080  1.0
  La  La1  1  0.2424  0.2639  0.5009  1.0
  La  La2  1  0.3109  0.8103  0.9863  1.0
  La  La3  1  0.6852  0.1865  0.0199  1.0
  La  La4  1  0.7464  0.7306  0.5168  1.0
  La  La5  1  0.8058  0.6954  0.9986  1.0
  Fe  Fe6  1  0.5142  0.5162  0.9630  1.0
  Co  Co7  1  0.9991  0.9994  0.0041  1.0
  Hg  Hg8  1  0.2459  0.7435  0.5023  1.0
  Hg  Hg9  1  0.7508  0.2531  0.5020  1.0
]