data_[Ca3As2P1Pd9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.6679]
_cell_length_b [6.6679]
_cell_length_c [8.0058]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ca3As2PPd9]
_chemical_formula_sum '[Ca3 As2 P1 Pd9]'
_cell_volume [308.2612]
_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  0.3333  0.6667  0.3309  1.0
  Ca  Ca1  1  0.0000  0.0000  0.0000  1.0
  As  As2  2  0.3333  0.6667  0.8091  1.0
  P  P3  1  0.0000  0.0000  0.5000  1.0
  Pd  Pd4  6  0.1425  0.2850  0.6991  1.0
  Pd  Pd5  3  0.0000  0.5000  0.0000  1.0
]