data_CuSb2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSb2As
_chemical_formula_sum   'Cu1 Sb2 As1'
_cell_volume   87.32
_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
  Cu  Cu1  1  0.0  0.0  0.93  1.0
  Sb  Sb2  1  0.61  0.61  0.93  1.0
  Sb  Sb3  1  0.0  0.0  0.35  1.0
  As  As0  1  0.61  0.61  0.75  1.0

data_CuSb2As
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSb2As
_chemical_formula_sum   'Cu2 Sb4 As2'
_cell_volume   174.63
_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
  Cu  Cu0  2  0.0  0.0  0.93  1.0
  Sb  Sb1  2  0.0  0.0  0.35  1.0
  Sb  Sb2  2  0.11  0.5  0.93  1.0
  As  As3  2  0.11  0.5  0.75  1.0

Cu Sb Sb As
Cu Sb Sb As 0 1 - - o 0 2 o o + 1 3 o o o 1 2 + + + 2 3 - - o 2 2 + o o 2 2 o + o 