data_CuSbSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbSe2
_chemical_formula_sum   'Cu1 Sb1 Se2'
_cell_volume   90.2
_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  0.58  1.0
  Sb  Sb1  1  0.94  0.0  0.61  1.0
  Se  Se2  1  0.0  0.0  0.38  1.0
  Se  Se3  1  0.94  0.0  0.97  1.0

data_CuSbSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   3.22
_cell_length_c   9.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbSe2
_chemical_formula_sum   'Cu1 Sb1 Se2'
_cell_volume   90.2
_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  0.58  1.0
  Sb  Sb1  1  0.94  0.0  0.61  1.0
  Se  Se2  1  0.0  0.0  0.38  1.0
  Se  Se3  1  0.94  0.0  0.97  1.0

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