data_SrNbFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   124.81
_cell_angle_beta   116.24
_cell_angle_gamma   89.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbFe2
_chemical_formula_sum   'Sr1 Nb1 Fe2'
_cell_volume   69.08
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Nb  Nb2  1  0.0  0.0  0.29  1.0
  Fe  Fe0  1  0.0  0.44  0.49  1.0
  Fe  Fe1  1  0.14  0.0  0.8  1.0

data_SrNbFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.29
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   63.76
_cell_angle_beta   62.4
_cell_angle_gamma   62.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrNbFe2
_chemical_formula_sum   'Sr1 Nb1 Fe2'
_cell_volume   69.08
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.29  0.0  0.71  1.0
  Fe  Fe2  1  0.49  0.0  0.95  1.0
  Fe  Fe3  1  0.66  0.14  0.2  1.0

Sr Nb Fe Fe
Sr Nb Fe Fe 0 3 o o - 0 1 o o o 0 2 o o o 1 2 o o o 2 3 o + o 