data_CuSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbAs2
_chemical_formula_sum   'Cu1 Sb1 As2'
_cell_volume   79.63
_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  Cu2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.85  0.0  0.0  1.0
  As  As0  1  0.43  0.11  0.84  1.0
  As  As1  1  0.43  0.89  0.84  1.0

data_CuSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   106.02
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbAs2
_chemical_formula_sum   'Cu1 Sb1 As2'
_cell_volume   79.63
_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  Cu0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.85  0.0  1.0
  As  As2  1  0.84  0.43  0.11  1.0
  As  As3  1  0.84  0.43  0.89  1.0

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