data_[Ca4Ga10Ag2Pd4]
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
  Ag  1.9300  1.6000  1.0867
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [9.7229]
_cell_length_b [9.7229]
_cell_length_c [4.1167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ca2Ga5AgPd2]
_chemical_formula_sum '[Ca4 Ga10 Ag2 Pd4]'
_cell_volume [389.1780]
_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  4  0.1839  0.6839  0.0000  1.0
  Ga  Ga1  8  0.0569  0.2021  0.5000  1.0
  Ga  Ga2  2  0.0000  0.5000  0.5000  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd4  4  0.1117  0.3883  0.0000  1.0
]