data_ReAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.6
_cell_angle_alpha   103.16
_cell_angle_beta   103.16
_cell_angle_gamma   39.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Pd
_chemical_formula_sum   'Re1 As2 Pd1'
_cell_volume   65.01
_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
  Re  Re3  1  0.37  0.0  0.9  1.0
  As  As0  1  0.99  0.0  0.36  1.0
  As  As1  1  0.51  0.0  0.88  1.0
  Pd  Pd2  1  0.96  0.0  0.56  1.0

data_ReAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.6
_cell_length_c   4.78
_cell_angle_alpha   103.16
_cell_angle_beta   109.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReAs2Pd
_chemical_formula_sum   'Re1 As2 Pd1'
_cell_volume   65.01
_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
  Re  Re0  1  0.0  0.9  0.37  1.0
  As  As1  1  0.0  0.36  0.99  1.0
  As  As2  1  0.0  0.88  0.51  1.0
  Pd  Pd3  1  0.0  0.56  0.96  1.0

Re As As Pd
Re As As Pd 0 2 o o o 1 3 o o o 