data_[Ca2Zn3Ga4Pd1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3171]
_cell_length_b [4.3171]
_cell_length_c [10.6696]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2Zn3Ga4Pd]
_chemical_formula_sum '[Ca2 Zn3 Ga4 Pd1]'
_cell_volume [198.8554]
_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  0.0000  0.5000  0.7448  1.0
  Zn  Zn1  2  0.0000  0.5000  0.1377  1.0
  Zn  Zn2  1  0.0000  0.0000  0.5000  1.0
  Ga  Ga3  2  0.0000  0.5000  0.3713  1.0
  Ga  Ga4  1  0.0000  0.0000  0.0000  1.0
  Ga  Ga5  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd6  1  0.5000  0.5000  0.5000  1.0
]