data_Mo2C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   33.95
_cell_angle_beta   33.95
_cell_angle_gamma   33.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mo2C
_chemical_formula_sum   'Mo2 C1'
_cell_volume   37.73
_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
  Mo  Mo1  1  0.0  0.0  0.61  1.0
  Mo  Mo2  1  0.0  0.0  0.91  1.0
  C  C0  1  0.0  0.0  0.0  1.0

data_Mo2C
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.2
_cell_length_b   3.0
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   109.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mo2C
_chemical_formula_sum   'Mo4 C2'
_cell_volume   75.46
_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
  Mo  Mo0  2  -0.0  0.0  0.39  1.0
  Mo  Mo1  2  0.0  0.0  0.09  1.0
  C  C2  2  0.0  0.0  0.0  1.0

Mo Mo C