data_[La6Fe1Hg2H1]
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
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.3347]
_cell_length_b [7.3700]
_cell_length_c [7.3854]
_cell_angle_alpha [119.7325]
_cell_angle_beta [119.1057]
_cell_angle_gamma [90.1270]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [La6FeHg2H]
_chemical_formula_sum '[La6 Fe1 Hg2 H1]'
_cell_volume [286.8772]
_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  0.1881  0.3075  0.9884  1.0
  La  La1  1  0.2331  0.2541  0.4811  1.0
  La  La2  1  0.3240  0.8142  0.0186  1.0
  La  La3  1  0.6772  0.1863  0.9848  1.0
  La  La4  1  0.7696  0.7487  0.5251  1.0
  La  La5  1  0.8139  0.6928  0.0150  1.0
  Fe  Fe6  1  0.9960  0.9951  0.9918  1.0
  Hg  Hg7  1  0.2544  0.7454  0.5002  1.0
  Hg  Hg8  1  0.7470  0.2548  0.5028  1.0
  H  H9  1  0.4977  0.4971  0.9944  1.0
]