data_[Sc2Zn14Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.9195]
_cell_length_b [8.6061]
_cell_length_c [8.5434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ScZn7Cu5]
_chemical_formula_sum '[Sc2 Zn14 Cu10]'
_cell_volume [361.7115]
_cell_formula_units_Z [2]
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
[
  Sc  Sc0  2  0.0000  0.0000  0.0084  1.0
  Zn  Zn1  4  0.0000  0.2959  0.5011  1.0
  Zn  Zn2  4  0.0000  0.3451  0.9942  1.0
  Zn  Zn3  2  0.0000  0.0000  0.3463  1.0
  Zn  Zn4  2  0.0000  0.0000  0.6609  1.0
  Zn  Zn5  2  0.0000  0.5000  0.2834  1.0
  Cu  Cu6  8  0.2487  0.2495  0.2478  1.0
  Cu  Cu7  2  0.0000  0.5000  0.7193  1.0
]