data_CuAsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   4.46
_cell_angle_alpha   108.04
_cell_angle_beta   108.04
_cell_angle_gamma   35.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsPd2
_chemical_formula_sum   'Cu1 As1 Pd2'
_cell_volume   59.75
_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
  Cu  Cu1  1  0.84  0.0  0.92  1.0
  As  As0  1  0.78  0.0  0.29  1.0
  Pd  Pd2  1  0.06  0.0  0.19  1.0
  Pd  Pd3  1  0.15  0.0  0.93  1.0

data_CuAsPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.46
_cell_length_c   4.91
_cell_angle_alpha   108.04
_cell_angle_beta   107.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAsPd2
_chemical_formula_sum   'Cu1 As1 Pd2'
_cell_volume   59.75
_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
  Cu  Cu0  1  0.0  0.92  0.84  1.0
  As  As1  1  0.0  0.29  0.78  1.0
  Pd  Pd2  1  0.0  0.19  0.06  1.0
  Pd  Pd3  1  0.0  0.93  0.15  1.0

Cu As Pd Pd