data_CrMo2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2P
_chemical_formula_sum   'Cr1 Mo2 P1'
_cell_volume   56.07
_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
  Cr  Cr0  1  0.61  0.0  0.14  1.0
  Mo  Mo1  1  0.0  0.0  0.09  1.0
  Mo  Mo2  1  0.61  0.0  0.58  1.0
  P  P3  1  0.0  0.0  0.71  1.0

data_CrMo2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.78
_cell_length_b   2.78
_cell_length_c   7.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2P
_chemical_formula_sum   'Cr1 Mo2 P1'
_cell_volume   56.07
_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
  Cr  Cr0  1  0.61  0.0  0.14  1.0
  Mo  Mo1  1  0.0  0.0  0.09  1.0
  Mo  Mo2  1  0.61  0.0  0.58  1.0
  P  P3  1  0.0  0.0  0.71  1.0

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