data_[Sc10In4Co4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [11.0846]
_cell_length_b [11.0846]
_cell_length_c [3.3054]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Sc5In2Co2Hg]
_chemical_formula_sum '[Sc10 In4 Co4 Hg2]'
_cell_volume [406.1293]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  8  0.0742  0.7880  0.5000  1
  Sc  Sc1  2  0.0000  0.5000  0.5000  1
  In  In2  4  0.1735  0.3265  0.0000  1
  Co  Co3  4  0.1291  0.6291  0.0000  1
  Hg  Hg4  2  0.0000  0.0000  0.0000  1
]