data_CoMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   4.85
_cell_angle_alpha   98.67
_cell_angle_beta   98.67
_cell_angle_gamma   33.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2Pd
_chemical_formula_sum   'Co1 Mo2 Pd1'
_cell_volume   57.56
_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
  Co  Co0  1  0.5  0.0  0.11  1.0
  Mo  Mo1  1  0.05  0.0  0.14  1.0
  Mo  Mo2  1  0.66  0.0  0.53  1.0
  Pd  Pd3  1  0.05  0.0  0.4  1.0

data_CoMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.67
_cell_length_c   4.85
_cell_angle_alpha   98.67
_cell_angle_beta   90.0
_cell_angle_gamma   106.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoMo2Pd
_chemical_formula_sum   'Co1 Mo2 Pd1'
_cell_volume   57.56
_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
  Co  Co0  1  0.0  0.5  0.89  1.0
  Mo  Mo1  1  0.0  0.34  0.47  1.0
  Mo  Mo2  1  0.0  0.95  0.86  1.0
  Pd  Pd3  1  0.0  0.95  0.6  1.0

Co Mo Mo Pd