data_[Co2Sn12Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8081]
_cell_length_b [6.7310]
_cell_length_c [10.9441]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.2073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Co(Sn3Pd)2]
_chemical_formula_sum '[Co2 Sn12 Pd4]'
_cell_volume [394.0751]
_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
[
  Co  Co0  2  0.5000  0.0000  0.5000  1.0
  Sn  Sn1  4  0.1010  0.5406  0.7232  1.0
  Sn  Sn2  4  0.2123  0.6559  0.0525  1.0
  Sn  Sn3  4  0.4158  0.1690  0.0750  1.0
  Pd  Pd4  4  0.2743  0.1635  0.7601  1.0
]