data_[Ca2Cd1As4Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cd  1.6900  1.5500  1.0900
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.3184]
_cell_length_b [4.3184]
_cell_length_c [10.9656]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Ca2CdAs4Pd3]
_chemical_formula_sum '[Ca2 Cd1 As4 Pd3]'
_cell_volume [204.4908]
_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  0.7558  1.0
  Cd  Cd1  1  0.5000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.5000  0.3514  1.0
  As  As3  1  0.0000  0.0000  0.0000  1.0
  As  As4  1  0.5000  0.5000  0.0000  1.0
  Pd  Pd5  2  0.0000  0.5000  0.1275  1.0
  Pd  Pd6  1  0.0000  0.0000  0.5000  1.0
]