data_NbFe2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   142.71
_cell_angle_beta   130.69
_cell_angle_gamma   63.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Co
_chemical_formula_sum   'Nb1 Fe2 Co1'
_cell_volume   51.16
_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  0.02  0.02  1.0
  Fe  Fe1  1  0.0  0.02  0.08  1.0
  Fe  Fe2  1  0.0  0.0  0.21  1.0
  Co  Co0  1  0.0  0.0  0.02  1.0

data_NbFe2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   4.03
_cell_length_c   4.83
_cell_angle_alpha   114.65
_cell_angle_beta   108.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbFe2Co
_chemical_formula_sum   'Nb1 Fe2 Co1'
_cell_volume   51.16
_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  0.98  1.0  1.0  1.0
  Fe  Fe1  1  0.79  0.79  0.79  1.0
  Fe  Fe2  1  0.92  0.94  0.94  1.0
  Co  Co3  1  0.98  0.98  0.98  1.0

Nb Fe Fe Co
Nb Fe Fe Co 0 3 o o o 1 3 o o o 1 2 o o o 