data_CrMo8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   98.39
_cell_angle_beta   98.39
_cell_angle_gamma   135.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrMo8
_chemical_formula_sum   'Cr1 Mo8'
_cell_volume   141.96
_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
  Mo  Mo1  1  0.29  0.71  0.3  1.0
  Mo  Mo2  1  0.71  0.29  0.3  1.0
  Mo  Mo3  1  0.0  0.31  0.0  1.0
  Mo  Mo4  1  0.64  0.64  0.0  1.0
  Mo  Mo5  1  0.31  0.0  0.0  1.0
  Mo  Mo6  1  0.29  0.29  0.3  1.0
  Mo  Mo7  1  0.0  0.55  0.0  1.0
  Mo  Mo8  1  0.55  0.0  0.0  1.0

data_CrMo8
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   11.12
_cell_length_c   6.01
_cell_angle_alpha   90.0
_cell_angle_beta   112.45
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CrMo8
_chemical_formula_sum   'Cr2 Mo16'
_cell_volume   283.91
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.0  0.0  0.0  1.0
  Mo  Mo1  4  0.22  0.22  0.0  1.0
  Mo  Mo2  4  0.3  0.29  0.3  1.0
  Mo  Mo3  4  0.35  0.35  0.0  1.0
  Mo  Mo4  2  0.01  0.0  0.3  1.0
  Mo  Mo5  2  0.36  0.0  0.0  1.0

Cr Mo Mo Mo Mo Mo Mo Mo Mo