data_Nb2CrCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28
_cell_length_b   4.28
_cell_length_c   5.18
_cell_angle_alpha   99.22
_cell_angle_beta   99.22
_cell_angle_gamma   39.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrCo
_chemical_formula_sum   'Nb2 Cr1 Co1'
_cell_volume   59.98
_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  0.3  0.0  0.83  1.0
  Nb  Nb3  1  0.86  0.0  0.28  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.58  0.0  0.55  1.0

data_Nb2CrCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.28
_cell_length_c   5.18
_cell_angle_alpha   99.22
_cell_angle_beta   90.0
_cell_angle_gamma   109.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2CrCo
_chemical_formula_sum   'Nb2 Cr1 Co1'
_cell_volume   59.98
_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  0.14  0.72  1.0
  Nb  Nb1  1  0.0  0.7  0.17  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.0  0.42  0.45  1.0

Nb Nb Cr Co