data_TaCo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   4.68
_cell_angle_alpha   132.96
_cell_angle_beta   132.96
_cell_angle_gamma   68.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Pd
_chemical_formula_sum   'Ta1 Co2 Pd1'
_cell_volume   54.03
_cell_formula_units_Z   1
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  Ta3  1  0.87  0.0  0.93  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.0  0.87  0.93  1.0
  Pd  Pd2  1  0.0  0.0  0.87  1.0

data_TaCo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   4.68
_cell_angle_alpha   113.52
_cell_angle_beta   113.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCo2Pd
_chemical_formula_sum   'Ta1 Co2 Pd1'
_cell_volume   54.03
_cell_formula_units_Z   1
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  1  0.07  0.0  0.94  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.94  0.87  0.94  1.0
  Pd  Pd3  1  0.13  0.0  0.13  1.0

Ta Co Co Pd