data_[Y4Sc4Cu8Sn8]
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
  Cu  1.9000  1.3500  0.8200
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [8.9890]
_cell_length_b [4.4890]
_cell_length_c [13.4683]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [YSc(CuSn)2]
_chemical_formula_sum '[Y4 Sc4 Cu8 Sn8]'
_cell_volume [512.6130]
_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  1  0.0616  0.5000  0.6242  1
  Y  Y1  1  0.3139  0.5000  0.1267  1
  Y  Y2  1  0.8120  0.5000  0.1251  1
  Y  Y3  1  0.9365  0.0000  0.8736  1
  Sc  Sc4  1  0.1881  0.0000  0.3763  1
  Sc  Sc5  1  0.4378  0.0000  0.8744  1
  Sc  Sc6  1  0.5615  0.5000  0.6241  1
  Sc  Sc7  1  0.6874  0.0000  0.3752  1
  Cu  Cu8  1  0.0000  0.5000  0.0000  1
  Cu  Cu9  1  0.1338  0.0000  0.7518  1
  Cu  Cu10  1  0.2542  0.5000  0.4975  1
  Cu  Cu11  1  0.3794  0.0000  0.2578  1
  Cu  Cu12  1  0.4979  0.5000  0.9947  1
  Cu  Cu13  1  0.6172  0.0000  0.7460  1
  Cu  Cu14  1  0.7429  0.5000  0.4971  1
  Cu  Cu15  1  0.8781  0.0000  0.2571  1
  Sn  Sn16  1  0.0649  0.0000  0.1300  1
  Sn  Sn17  1  0.1932  0.5000  0.8749  1
  Sn  Sn18  1  0.3167  0.0000  0.6225  1
  Sn  Sn19  1  0.4392  0.5000  0.3782  1
  Sn  Sn20  1  0.5629  0.0000  0.1253  1
  Sn  Sn21  1  0.6789  0.5000  0.8698  1
  Sn  Sn22  1  0.8038  0.0000  0.6212  1
  Sn  Sn23  1  0.9381  0.5000  0.3766  1
]