data_Mn2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   2.88
_cell_angle_alpha   104.44
_cell_angle_beta   104.44
_cell_angle_gamma   117.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeSb
_chemical_formula_sum   'Mn2 Fe1 Sb1'
_cell_volume   59.88
_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
  Mn  Mn1  1  0.66  0.2  0.27  1.0
  Mn  Mn2  1  0.66  0.8  0.27  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.69  0.0  0.0  1.0

data_Mn2FeSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.74
_cell_length_c   5.16
_cell_angle_alpha   116.17
_cell_angle_beta   104.44
_cell_angle_gamma   93.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2FeSb
_chemical_formula_sum   'Mn2 Fe1 Sb1'
_cell_volume   59.88
_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
  Mn  Mn0  1  0.07  0.8  0.46  1.0
  Mn  Mn1  1  0.46  0.2  0.86  1.0
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  -0.0  0.0  0.69  1.0

Mn Mn Fe Sb