data_[Sc2In2Hg2]
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
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.5694]
_cell_length_b [4.4945]
_cell_length_c [6.9896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4722]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ScInHg]
_chemical_formula_sum '[Sc2 In2 Hg2]'
_cell_volume [136.9233]
_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  2  0.0927  0.7500  0.6866  1.0
  In  In1  2  0.4218  0.7500  0.3431  1.0
  Hg  Hg2  2  0.2557  0.2500  0.0093  1.0
]