data_ZnCu2SnTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   131.43
_cell_angle_beta   131.43
_cell_angle_gamma   71.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2SnTe4
_chemical_formula_sum   'Zn1 Cu2 Sn1 Te4'
_cell_volume   231.15
_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
  Zn  Zn7  1  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.08  0.05  1.0
  Cu  Cu1  1  0.08  0.0  0.05  1.0
  Sn  Sn2  1  0.0  0.0  0.09  1.0
  Te  Te3  1  0.61  0.39  0.76  1.0
  Te  Te4  1  0.39  0.61  0.76  1.0
  Te  Te5  1  0.61  0.61  0.42  1.0
  Te  Te6  1  0.47  0.47  0.33  1.0

data_ZnCu2SnTe4
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.71
_cell_length_b   8.71
_cell_length_c   7.49
_cell_angle_alpha   90.0
_cell_angle_beta   125.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCu2SnTe4
_chemical_formula_sum   'Zn2 Cu4 Sn2 Te8'
_cell_volume   462.3
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Cu  Cu1  4  0.46  0.46  0.97  1.0
  Sn  Sn2  2  0.0  0.0  0.09  1.0
  Te  Te3  4  -0.0  0.39  0.76  1.0
  Te  Te4  2  0.03  0.5  0.39  1.0
  Te  Te5  2  0.39  0.0  0.2  1.0

Zn Cu Cu Sn Te Te Te Te