data_HfMnMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.78
_cell_length_b   8.78
_cell_length_c   8.78
_cell_angle_alpha   19.35
_cell_angle_beta   19.35
_cell_angle_gamma   19.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HfMnMo2
_chemical_formula_sum   'Hf1 Mn1 Mo2'
_cell_volume   64.94
_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
  Hf  Hf0  1  0.0  0.0  0.92  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.0  0.0  0.13  1.0
  Mo  Mo3  1  0.0  0.0  0.71  1.0

data_HfMnMo2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   2.95
_cell_length_c   8.78
_cell_angle_alpha   90.0
_cell_angle_beta   101.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   HfMnMo2
_chemical_formula_sum   'Hf2 Mn2 Mo4'
_cell_volume   129.87
_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
  Hf  Hf0  2  0.0  0.0  0.08  1.0
  Mn  Mn1  2  0.0  0.0  0.0  1.0
  Mo  Mo2  2  0.0  0.0  0.29  1.0
  Mo  Mo3  2  0.0  0.0  0.87  1.0

Hf Mn Mo Mo