data_BaCoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   6.04
_cell_angle_alpha   110.58
_cell_angle_beta   110.58
_cell_angle_gamma   59.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoPd2
_chemical_formula_sum   'Ba1 Co1 Pd2'
_cell_volume   93.43
_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
  Ba  Ba0  1  0.57  0.0  0.72  1.0
  Co  Co1  1  0.16  0.0  0.27  1.0
  Pd  Pd2  1  0.01  0.0  0.27  1.0
  Pd  Pd3  1  0.13  0.0  0.02  1.0

data_BaCoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.43
_cell_length_c   6.04
_cell_angle_alpha   110.58
_cell_angle_beta   90.0
_cell_angle_gamma   119.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoPd2
_chemical_formula_sum   'Ba1 Co1 Pd2'
_cell_volume   93.43
_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
  Ba  Ba0  1  0.0  0.43  0.28  1.0
  Co  Co1  1  0.0  0.84  0.73  1.0
  Pd  Pd2  1  0.0  0.87  0.98  1.0
  Pd  Pd3  1  0.0  0.99  0.73  1.0

Ba Co Pd Pd