data_CuSnTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98
_cell_length_b   3.85
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   103.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnTe2
_chemical_formula_sum   'Cu1 Sn1 Te2'
_cell_volume   107.69
_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
  Sn  Sn1  1  0.12  0.0  0.51  1.0
  Te  Te2  1  0.01  0.93  0.42  1.0
  Te  Te3  1  0.23  0.93  0.59  1.0

data_CuSnTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   3.98
_cell_length_c   7.23
_cell_angle_alpha   103.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuSnTe2
_chemical_formula_sum   'Cu1 Sn1 Te2'
_cell_volume   107.69
_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
  Sn  Sn1  1  0.0  0.88  0.49  1.0
  Te  Te2  1  0.07  0.77  0.41  1.0
  Te  Te3  1  0.07  0.99  0.58  1.0

Cu Sn Te Te