data_FeCuSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   130.49
_cell_angle_beta   121.9
_cell_angle_gamma   79.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuSb2
_chemical_formula_sum   'Fe1 Cu1 Sb2'
_cell_volume   74.95
_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  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.79  1.0
  Sb  Sb2  1  0.0  0.4  0.84  1.0
  Sb  Sb3  1  0.07  0.0  0.95  1.0

data_FeCuSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.79
_cell_length_c   4.93
_cell_angle_alpha   119.05
_cell_angle_beta   114.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuSb2
_chemical_formula_sum   'Fe1 Cu1 Sb2'
_cell_volume   74.95
_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  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.79  0.79  1.0
  Sb  Sb2  1  0.0  0.95  0.88  1.0
  Sb  Sb3  1  0.6  0.44  0.44  1.0

Fe Cu Sb Sb