data_[Ca4Be2As2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  As  2.1800  1.1500  0.6600
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3351]
_cell_length_b [6.0669]
_cell_length_c [6.7952]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7584]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2BeAsPd6]
_chemical_formula_sum '[Ca4 Be2 As2 Pd12]'
_cell_volume [373.5167]
_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  0.2356  0.5000  0.1906  1.0
  Be  Be1  2  0.0000  0.5000  0.5000  1.0
  As  As2  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd3  8  0.0374  0.2294  0.3256  1.0
  Pd  Pd4  4  0.2371  0.5000  0.7020  1.0
]