data_CuSbTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.25
_cell_length_b   7.25
_cell_length_c   7.25
_cell_angle_alpha   33.54
_cell_angle_beta   33.54
_cell_angle_gamma   33.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSbTe2
_chemical_formula_sum   'Cu1 Sb1 Te2'
_cell_volume   103.42
_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  0.0  0.25  1.0
  Te  Te2  1  0.0  0.0  0.36  1.0
  Te  Te3  1  0.0  0.0  0.13  1.0

data_CuSbTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.24
_cell_length_b   4.18
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   109.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuSbTe2
_chemical_formula_sum   'Cu2 Sb2 Te4'
_cell_volume   206.84
_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  0.0  1.0
  Sb  Sb1  2  0.0  0.0  0.75  1.0
  Te  Te2  2  0.0  0.0  0.64  1.0
  Te  Te3  2  0.0  0.0  0.87  1.0

Cu Sb Te Te
Cu Sb Te Te 0 3 o o o 1 3 o o o 1 2 o o o 