data_[Hf3Sc3Mn1Bi2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [P-62m]
_cell_length_a [7.7833]
_cell_length_b [7.7833]
_cell_length_c [3.8065]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [Hf3Sc3MnBi2]
_chemical_formula_sum '[Hf3 Sc3 Mn1 Bi2]'
_cell_volume [199.7030]
_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
[
  Hf  Hf0  3  0.0000  0.6258  0.0000  1
  Sc  Sc1  3  0.0000  0.2363  0.5000  1
  Mn  Mn2  1  0.0000  0.0000  0.0000  1
  Bi  Bi3  2  0.3333  0.6667  0.5000  1
]