data_CrMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   4.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   153.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo2
_chemical_formula_sum   'Cr2 Mo4'
_cell_volume   87.0
_cell_formula_units_Z   2
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  0.54  0.44  0.09  1.0
  Cr  Cr1  1  0.54  0.56  0.27  1.0
  Mo  Mo2  1  0.54  0.03  0.09  1.0
  Mo  Mo3  1  0.54  0.23  0.27  1.0
  Mo  Mo4  1  0.54  0.77  0.09  1.0
  Mo  Mo5  1  0.54  0.97  0.27  1.0

data_CrMo2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.08
_cell_length_b   4.36
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   103.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CrMo2
_chemical_formula_sum   'Cr2 Mo4'
_cell_volume   87.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.44  0.59  0.44  1.0
  Mo  Mo1  2  0.03  0.59  0.03  1.0
  Mo  Mo2  2  0.23  0.41  0.23  1.0

Cr Cr Mo Mo Mo Mo
Cr Cr Mo Mo Mo Mo 0 1 o o o 0 3 o o o 1 4 o o o 2 5 o - o 2 3 o o o 2 4 o - o 3 5 o - o 4 5 o o o 