data_NbCo2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   2.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Mo
_chemical_formula_sum   'Nb1 Co2 Mo1'
_cell_volume   52.74
_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  0.0  0.0  0.0  1.0
  Co  Co0  1  0.34  0.82  0.35  1.0
  Co  Co1  1  0.34  0.18  0.35  1.0
  Mo  Mo2  1  0.69  0.0  0.0  1.0

data_NbCo2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.69
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   107.09
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2Mo
_chemical_formula_sum   'Nb1 Co2 Mo1'
_cell_volume   52.74
_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  0.0  0.0  1.0
  Co  Co1  1  0.35  0.34  0.18  1.0
  Co  Co2  1  0.35  0.34  0.82  1.0
  Mo  Mo3  1  -0.0  0.69  0.0  1.0

Nb Co Co Mo