data_NbCoMo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.03
_cell_length_b   5.03
_cell_length_c   2.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   114.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoMo2
_chemical_formula_sum   'Nb1 Co1 Mo2'
_cell_volume   61.66
_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
  Nb  Nb3  1  0.71  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.36  0.12  0.34  1.0
  Mo  Mo2  1  0.36  0.88  0.34  1.0

data_NbCoMo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   5.03
_cell_length_c   5.03
_cell_angle_alpha   114.76
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCoMo2
_chemical_formula_sum   'Nb1 Co1 Mo2'
_cell_volume   61.66
_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
  Nb  Nb0  1  0.0  0.71  0.0  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Mo  Mo2  1  0.34  0.36  0.88  1.0
  Mo  Mo3  1  0.34  0.36  0.12  1.0

Nb Co Mo Mo