data_CaMoPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   4.99
_cell_angle_alpha   102.48
_cell_angle_beta   102.48
_cell_angle_gamma   30.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMoPd2
_chemical_formula_sum   'Ca1 Mo1 Pd2'
_cell_volume   70.99
_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
  Ca  Ca0  1  0.48  0.0  0.12  1.0
  Mo  Mo1  1  0.87  0.0  0.0  1.0
  Pd  Pd2  1  0.08  0.0  0.58  1.0
  Pd  Pd3  1  0.17  0.0  0.46  1.0

data_CaMoPd2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.99
_cell_length_c   5.33
_cell_angle_alpha   102.48
_cell_angle_beta   105.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMoPd2
_chemical_formula_sum   'Ca1 Mo1 Pd2'
_cell_volume   70.99
_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
  Ca  Ca0  1  0.0  0.12  0.48  1.0
  Mo  Mo1  1  0.0  0.0  0.87  1.0
  Pd  Pd2  1  0.0  0.46  0.17  1.0
  Pd  Pd3  1  0.0  0.58  0.08  1.0

Ca Mo Pd Pd