data_CuAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   3.94
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAs2Pd
_chemical_formula_sum   'Cu1 As2 Pd1'
_cell_volume   65.02
_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  Cu2  1  0.0  0.0  0.68  1.0
  As  As0  1  0.0  0.0  0.27  1.0
  As  As1  1  0.48  0.97  0.68  1.0
  Pd  Pd3  1  0.48  0.97  0.27  1.0

data_CuAs2Pd
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.94
_cell_length_b   2.97
_cell_length_c   5.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CuAs2Pd
_chemical_formula_sum   'Cu1 As2 Pd1'
_cell_volume   65.02
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.68  1.0
  As  As1  1  0.0  0.0  0.27  1.0
  As  As2  1  0.97  0.5  0.68  1.0
  Pd  Pd3  1  0.97  0.5  0.27  1.0

Cu As As Pd
Cu As As Pd 0 2 - - o 0 2 o - o 1 3 - - o 1 3 o - o 