data_[Ca24Ga4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5978]
_cell_length_b [10.8498]
_cell_length_c [10.7170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2581]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca6GaPd]
_chemical_formula_sum '[Ca24 Ga4 Pd4]'
_cell_volume [1241.5363]
_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  8  0.0283  0.3190  0.1974  1
  Ca  Ca1  8  0.1706  0.3224  0.6783  1
  Ca  Ca2  4  0.1465  0.0000  0.4605  1
  Ca  Ca3  4  0.2305  0.0000  0.8807  1
  Ga  Ga4  4  0.2500  0.2500  0.0000  1
  Pd  Pd5  4  0.2500  0.2500  0.5000  1
]