data_[Ca4In2B2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0751]
_cell_length_b [5.7955]
_cell_length_c [7.4884]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.0404]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2InBPd6]
_chemical_formula_sum '[Ca4 In2 B2 Pd12]'
_cell_volume [389.4466]
_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  0.2285  0.5000  0.1940  1.0
  In  In1  2  0.0000  0.0000  0.0000  1.0
  B  B2  2  0.0000  0.5000  0.5000  1.0
  Pd  Pd3  8  0.0248  0.2384  0.3258  1.0
  Pd  Pd4  4  0.2321  0.5000  0.6680  1.0
]