data_[Ta2Cu6Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2307]
_cell_length_b [4.0398]
_cell_length_c [8.9096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0496]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ta(CuPd2)3]
_chemical_formula_sum '[Ta2 Cu6 Pd12]'
_cell_volume [294.5953]
_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
[
  Ta  Ta0  2  0.0647  0.2500  0.3785  1
  Cu  Cu1  2  0.2541  0.2500  0.0087  1
  Cu  Cu2  2  0.3497  0.7500  0.8110  1
  Cu  Cu3  2  0.4491  0.2500  0.6044  1
  Pd  Pd4  2  0.0593  0.7500  0.9043  1
  Pd  Pd5  2  0.1517  0.2500  0.6989  1
  Pd  Pd6  2  0.1563  0.7500  0.2099  1
  Pd  Pd7  2  0.2520  0.7500  0.5137  1
  Pd  Pd8  2  0.3700  0.2500  0.3112  1
  Pd  Pd9  2  0.4587  0.7500  0.1008  1
]