data_[Y4Sc4Zn4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4685]
_cell_length_b [3.4718]
_cell_length_c [6.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5244]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YScZn]
_chemical_formula_sum '[Y4 Sc4 Zn4]'
_cell_volume [284.9531]
_cell_formula_units_Z [4]
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
[
  Y  Y0  4  0.1441  0.0000  0.0765  1.0
  Sc  Sc1  4  0.1459  0.0000  0.5702  1.0
  Zn  Zn2  4  0.0035  0.5000  0.7228  1.0
]