data_[Ca2Ho1Cd8]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4491]
_cell_length_b [6.3667]
_cell_length_c [8.9390]
_cell_angle_alpha [109.8605]
_cell_angle_beta [107.3631]
_cell_angle_gamma [91.4707]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ca2HoCd8]
_chemical_formula_sum '[Ca2 Ho1 Cd8]'
_cell_volume [275.5809]
_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
[
  Ca  Ca0  2  0.3099  0.3041  0.6238  1
  Ho  Ho1  1  0.5000  0.0000  0.0000  1
  Cd  Cd2  2  0.1172  0.3592  0.2573  1
  Cd  Cd3  2  0.1368  0.9004  0.2501  1
  Cd  Cd4  2  0.2538  0.4888  0.0001  1
  Cd  Cd5  2  0.3027  0.7924  0.5981  1
]