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 [Cm]
_cell_length_a [10.7745]
_cell_length_b [4.8373]
_cell_length_c [6.3008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.8812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [YScZn]
_chemical_formula_sum '[Y4 Sc4 Zn4]'
_cell_volume [281.8388]
_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  2  0.0842  0.5000  0.6443  1.0
  Y  Y1  2  0.3531  0.5000  0.2461  1.0
  Sc  Sc2  2  0.2177  0.0000  0.4592  1.0
  Sc  Sc3  2  0.4845  0.0000  0.0434  1.0
  Zn  Zn4  2  0.1763  0.0000  0.9651  1.0
  Zn  Zn5  2  0.3957  0.5000  0.7517  1.0
]