data_FeCoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.97
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   40.79
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoSb2
_chemical_formula_sum   'Fe1 Co1 Sb2'
_cell_volume   67.57
_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  0.0  0.0  0.1  1.0
  Co  Co0  1  0.98  0.0  0.63  1.0
  Sb  Sb2  1  0.98  0.0  0.54  1.0
  Sb  Sb3  1  0.0  0.0  0.82  1.0

data_FeCoSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.97
_cell_length_c   5.11
_cell_angle_alpha   90.0
_cell_angle_beta   110.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCoSb2
_chemical_formula_sum   'Fe1 Co1 Sb2'
_cell_volume   67.57
_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  0.9  0.0  0.9  1.0
  Co  Co1  1  0.37  0.98  0.37  1.0
  Sb  Sb2  1  0.18  0.0  0.18  1.0
  Sb  Sb3  1  0.46  0.98  0.46  1.0

Fe Co Sb Sb