data_[Zr1Sc7Al4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.8993]
_cell_length_b [5.9418]
_cell_length_c [7.5806]
_cell_angle_alpha [82.3812]
_cell_angle_beta [77.4153]
_cell_angle_gamma [80.6642]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ZrSc7Al4]
_chemical_formula_sum '[Zr1 Sc7 Al4]'
_cell_volume [254.5912]
_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
[
  Zr  Zr0  1  0.0000  0.0000  0.0000  1
  Sc  Sc1  2  0.1842  0.0910  0.3406  1
  Sc  Sc2  2  0.3419  0.6502  0.6508  1
  Sc  Sc3  2  0.4799  0.7480  0.0371  1
  Sc  Sc4  1  0.0000  0.5000  0.0000  1
  Al  Al5  2  0.1156  0.6023  0.3435  1
  Al  Al6  2  0.3181  0.1480  0.6751  1
]