data_[Sc2Zn8Cu2]
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 [Pmma]
_cell_length_a [7.5023]
_cell_length_b [3.7822]
_cell_length_c [6.6958]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ScZn4Cu]
_chemical_formula_sum '[Sc2 Zn8 Cu2]'
_cell_volume [189.9942]
_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  0.2500  0.0000  0.3814  1.0
  Zn  Zn1  4  0.0486  0.5000  0.6848  1.0
  Zn  Zn2  2  0.0000  0.0000  0.0000  1.0
  Zn  Zn3  2  0.2500  0.5000  0.0601  1.0
  Cu  Cu4  2  0.2500  0.0000  0.7824  1.0
]