data_Nb2CrMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   144.38
_cell_angle_beta   128.15
_cell_angle_gamma   64.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrMo
_chemical_formula_sum   'Nb2 Cr1 Mo1'
_cell_volume   63.64
_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  Nb2  1  0.0  0.27  0.23  1.0
  Nb  Nb3  1  0.59  0.0  0.17  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Mo  Mo1  1  0.0  0.0  0.4  1.0

data_Nb2CrMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.55
_cell_length_c   5.2
_cell_angle_alpha   115.93
_cell_angle_beta   107.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrMo
_chemical_formula_sum   'Nb2 Cr1 Mo1'
_cell_volume   63.64
_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  0.42  0.83  0.42  1.0
  Nb  Nb1  1  0.77  0.04  0.04  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Mo  Mo3  1  0.6  0.6  0.6  1.0

Nb Nb Cr Mo