data_CaMo2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   5.21
_cell_length_c   4.99
_cell_angle_alpha   90.0
_cell_angle_beta   98.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2Pd
_chemical_formula_sum   'Ca1 Mo2 Pd1'
_cell_volume   72.02
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.34  0.61  0.73  1.0
  Mo  Mo2  1  0.76  0.61  0.2  1.0
  Pd  Pd3  1  0.05  0.0  0.47  1.0

data_CaMo2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   4.99
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMo2Pd
_chemical_formula_sum   'Ca1 Mo2 Pd1'
_cell_volume   72.02
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.24  0.8  0.39  1.0
  Mo  Mo2  1  0.66  0.27  0.39  1.0
  Pd  Pd3  1  0.95  0.53  0.0  1.0

Ca Mo Mo Pd