data_CrGaMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   134.33
_cell_angle_beta   134.33
_cell_angle_gamma   66.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaMo2
_chemical_formula_sum   'Cr1 Ga1 Mo2'
_cell_volume   58.47
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.89  0.0  0.04  1.0
  Mo  Mo2  1  0.0  0.0  0.08  1.0
  Mo  Mo3  1  0.0  0.89  0.04  1.0

data_CrGaMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   3.79
_cell_length_c   4.88
_cell_angle_alpha   112.83
_cell_angle_beta   112.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrGaMo2
_chemical_formula_sum   'Cr1 Ga1 Mo2'
_cell_volume   58.47
_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  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.04  0.15  0.15  1.0
  Mo  Mo2  1  0.08  0.08  0.08  1.0
  Mo  Mo3  1  0.15  0.04  0.15  1.0

Cr Ga Mo Mo
Cr Ga Mo Mo 0 2 o o o 1 2 + o o 2 3 o - o 