data_Zn2FeSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2FeSb
_chemical_formula_sum   'Zn2 Fe1 Sb1'
_cell_volume   71.6
_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
  Zn  Zn2  1  0.0  0.0  0.75  1.0
  Zn  Zn3  1  0.06  0.0  0.98  1.0
  Fe  Fe0  1  0.0  0.0  0.4  1.0
  Sb  Sb1  1  0.06  0.0  0.53  1.0

data_Zn2FeSb
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   8.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Zn2FeSb
_chemical_formula_sum   'Zn2 Fe1 Sb1'
_cell_volume   71.62
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Zn  Zn0  1  0.0  0.0  0.75  1.0
  Zn  Zn1  1  0.06  0.0  0.98  1.0
  Fe  Fe2  1  0.0  0.0  0.4  1.0
  Sb  Sb3  1  0.06  0.0  0.53  1.0

Zn Zn Fe Sb
Zn Zn Fe Sb 0 3 o o o 0 1 o o o 2 3 o o o 