data_[Ca4Bi6Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Bi  2.0200  1.6000  1.0350
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1661]
_cell_length_b [4.4085]
_cell_length_c [8.0315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2Bi3Pd2]
_chemical_formula_sum '[Ca4 Bi6 Pd4]'
_cell_volume [371.7909]
_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  0.1509  0.0000  0.8056  1.0
  Bi  Bi1  4  0.1258  0.5000  0.4516  1.0
  Bi  Bi2  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd3  4  0.1522  0.0000  0.2302  1.0
]