data_[Ca2Ho2Al2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  Al  1.6100  1.2500  0.6750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.6693]
_cell_length_b [3.6693]
_cell_length_c [11.8532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [CaHoAlO4]
_chemical_formula_sum '[Ca2 Ho2 Al2 O8]'
_cell_volume [159.5896]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.6446  1.0
  Ho  Ho1  2  0.0000  0.0000  0.3593  1.0
  Al  Al2  2  0.0000  0.0000  0.0051  1.0
  O  O3  4  0.0000  0.5000  0.4937  1.0
  O  O4  2  0.0000  0.0000  0.1709  1.0
  O  O5  2  0.0000  0.0000  0.8327  1.0
]