data_Cu2SnTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnTe
_chemical_formula_sum   'Cu2 Sn1 Te1'
_cell_volume   82.93
_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
  Cu  Cu1  1  0.16  0.0  0.42  1.0
  Sn  Sn2  1  0.0  0.0  0.66  1.0
  Te  Te3  1  0.16  0.0  0.33  1.0

data_Cu2SnTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   8.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2SnTe
_chemical_formula_sum   'Cu2 Sn1 Te1'
_cell_volume   82.93
_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
  Cu  Cu1  1  0.16  0.0  0.42  1.0
  Sn  Sn2  1  0.0  0.0  0.66  1.0
  Te  Te3  1  0.16  0.0  0.33  1.0

Cu Cu Sn Te