data_CuSnSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   6.87
_cell_angle_alpha   106.2
_cell_angle_beta   106.2
_cell_angle_gamma   56.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnSb2
_chemical_formula_sum   'Cu1 Sn1 Sb2'
_cell_volume   96.71
_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  0.03  0.0  0.61  1.0
  Sn  Sn3  1  0.61  0.0  0.94  1.0
  Sb  Sb1  1  0.02  0.0  0.34  1.0
  Sb  Sb2  1  0.22  0.0  0.88  1.0

data_CuSnSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.0
_cell_length_b   4.22
_cell_length_c   6.87
_cell_angle_alpha   106.2
_cell_angle_beta   90.0
_cell_angle_gamma   118.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnSb2
_chemical_formula_sum   'Cu1 Sn1 Sb2'
_cell_volume   96.71
_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  0.97  0.39  1.0
  Sn  Sn1  1  0.0  0.39  0.06  1.0
  Sb  Sb2  1  0.0  0.78  0.12  1.0
  Sb  Sb3  1  0.0  0.98  0.66  1.0

Cu Sn Sb Sb