data_[Ca4Ga2Si2Pd12]
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
  Si  1.9000  1.1000  0.5400
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.4796]
_cell_length_b [5.6098]
_cell_length_c [8.1903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [132.9495]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2GaSiPd6]
_chemical_formula_sum '[Ca4 Ga2 Si2 Pd12]'
_cell_volume [386.0665]
_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  0.2405  0.5000  0.7268  1
  Ga  Ga1  2  0.0000  0.0000  0.5000  1
  Si  Si2  2  0.0000  0.5000  0.0000  1
  Pd  Pd3  8  0.0169  0.2474  0.2535  1
  Pd  Pd4  4  0.2493  0.5000  0.1010  1
]