data_[Ho2Al1Cu7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.7980]
_cell_length_b [3.7980]
_cell_length_c [11.2075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ho2AlCu7]
_chemical_formula_sum '[Ho2 Al1 Cu7]'
_cell_volume [161.6682]
_cell_formula_units_Z [1]
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
[
  Ho  Ho0  2  0.0000  0.5000  0.2544  1.0
  Al  Al1  1  0.5000  0.5000  0.0000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.6382  1.0
  Cu  Cu3  2  0.0000  0.5000  0.8543  1.0
  Cu  Cu4  1  0.0000  0.0000  0.0000  1.0
  Cu  Cu5  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu6  1  0.5000  0.5000  0.5000  1.0
]