data_Cd2MoP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoP
_chemical_formula_sum   'Cd2 Mo1 P1'
_cell_volume   73.77
_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
  Cd  Cd0  1  0.78  0.0  0.32  1.0
  Cd  Cd1  1  0.78  0.0  0.92  1.0
  Mo  Mo2  1  0.0  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Cd2MoP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   2.86
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cd2MoP
_chemical_formula_sum   'Cd2 Mo1 P1'
_cell_volume   73.77
_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
  Cd  Cd0  1  0.78  0.0  0.32  1.0
  Cd  Cd1  1  0.78  0.0  0.92  1.0
  Mo  Mo2  1  0.0  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Cd Cd Mo P
Cd Cd Mo P 0 0 o + o 0 0 + o o 0 3 + o o 0 2 + o o 1 3 + o + 1 2 + o o 2 2 o + o 2 2 + o o 