data_[Hf1Zr4Sc4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.8102]
_cell_length_b [3.1922]
_cell_length_c [8.6807]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7280]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Hf(ZrSc)4]
_chemical_formula_sum '[Hf1 Zr4 Sc4]'
_cell_volume [211.1086]
_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  1  0.0000  0.5000  0.0000  1
  Zr  Zr1  2  0.0150  0.0000  0.6860  1
  Zr  Zr2  2  0.3331  0.0000  0.2052  1
  Sc  Sc3  2  0.3125  0.5000  0.5315  1
  Sc  Sc4  2  0.3378  0.5000  0.8826  1
]