data_[Ca4Ho4Pd12]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.1388]
_cell_length_b [8.2678]
_cell_length_c [7.7067]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.3411]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CaHoPd3]
_chemical_formula_sum '[Ca4 Ho4 Pd12]'
_cell_volume [414.4352]
_cell_formula_units_Z [4]
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  4  0.3180  0.0698  0.7886  1.0
  Ho  Ho1  4  0.1209  0.7013  0.5387  1.0
  Pd  Pd2  4  0.1027  0.0427  0.3714  1.0
  Pd  Pd3  4  0.3178  0.1111  0.1655  1.0
  Pd  Pd4  4  0.4339  0.6673  0.9313  1.0
]