data_[Zr2Al10Cu14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.0146]
_cell_length_b [8.4991]
_cell_length_c [8.5504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [ZrAl5Cu7]
_chemical_formula_sum '[Zr2 Al10 Cu14]'
_cell_volume [364.4131]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.9997  1.0
  Al  Al1  4  0.0000  0.3401  0.0050  1.0
  Al  Al2  2  0.0000  0.0000  0.3459  1.0
  Al  Al3  2  0.0000  0.0000  0.6595  1.0
  Al  Al4  2  0.0000  0.5000  0.6988  1.0
  Cu  Cu5  8  0.2494  0.2515  0.7515  1.0
  Cu  Cu6  4  0.0000  0.2796  0.4989  1.0
  Cu  Cu7  2  0.0000  0.5000  0.2821  1.0
]