data_[La14Sc1Hg1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Sc  1.3600  1.6000  0.8850
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.2533]
_cell_length_b [7.2533]
_cell_length_c [10.4336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [La14ScHg]
_chemical_formula_sum '[La14 Sc1 Hg1]'
_cell_volume [548.9112]
_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  8  0.2519  0.2519  0.2424  1
  La  La1  2  0.0000  0.5000  0.0000  1
  La  La2  2  0.0000  0.5000  0.5000  1
  La  La3  1  0.0000  0.0000  0.5000  1
  La  La4  1  0.5000  0.5000  0.5000  1
  Sc  Sc5  1  0.0000  0.0000  0.0000  1
  Hg  Hg6  1  0.5000  0.5000  0.0000  1
]