data_MnFeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.36
_cell_length_b   5.23
_cell_length_c   3.2
_cell_angle_alpha   74.6
_cell_angle_beta   70.31
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnFeSb
_chemical_formula_sum   'Mn1 Fe1 Sb1'
_cell_volume   48.49
_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  0.11  0.4  0.38  1.0
  Fe  Fe0  1  0.11  0.4  0.49  1.0
  Sb  Sb2  1  0.11  0.4  0.29  1.0

data_MnFeSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.21
_cell_length_b   9.58
_cell_length_c   3.2
_cell_angle_alpha   90.0
_cell_angle_beta   131.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnFeSb
_chemical_formula_sum   'Mn2 Fe2 Sb2'
_cell_volume   96.98
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.4  0.0  0.51  1.0
  Fe  Fe1  2  0.4  0.0  0.4  1.0
  Sb  Sb2  2  0.4  0.0  0.6  1.0

Mn Fe Sb