data_[Y8Sc4Cu4Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.1840]
_cell_length_b [18.5320]
_cell_length_c [12.7970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Y2ScCuTe5]
_chemical_formula_sum '[Y8 Sc4 Cu4 Te20]'
_cell_volume [992.2584]
_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  0.0000  0.1105  0.6856  1.0
  Y  Y1  4  0.0000  0.1270  0.3040  1.0
  Sc  Sc2  4  0.0000  0.1873  0.0104  1.0
  Cu  Cu3  4  0.0000  0.4261  0.4598  1.0
  Te  Te4  4  0.0000  0.0415  0.0670  1.0
  Te  Te5  4  0.0000  0.2852  0.6662  1.0
  Te  Te6  4  0.0000  0.3085  0.3445  1.0
  Te  Te7  4  0.0000  0.3503  0.9988  1.0
  Te  Te8  4  0.0000  0.4994  0.7878  1.0
]