data_FeSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   6.34
_cell_angle_alpha   107.61
_cell_angle_beta   107.61
_cell_angle_gamma   46.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2As
_chemical_formula_sum   'Fe1 Sb2 As1'
_cell_volume   84.46
_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
  Fe  Fe1  1  0.05  0.0  0.25  1.0
  Sb  Sb2  1  0.57  0.0  0.28  1.0
  Sb  Sb3  1  0.74  0.0  0.23  1.0
  As  As0  1  0.67  0.0  0.22  1.0

data_FeSb2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   4.41
_cell_length_c   6.34
_cell_angle_alpha   107.61
_cell_angle_beta   90.0
_cell_angle_gamma   113.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2As
_chemical_formula_sum   'Fe1 Sb2 As1'
_cell_volume   84.46
_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
  Fe  Fe0  1  0.0  0.95  0.75  1.0
  Sb  Sb1  1  0.0  0.26  0.77  1.0
  Sb  Sb2  1  0.0  0.43  0.72  1.0
  As  As3  1  0.0  0.33  0.78  1.0

Fe Sb Sb As
Fe Sb Sb As 0 2 - o o 1 3 o o o 2 3 o o o 