data_ZnCu2GeTe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   131.61
_cell_angle_beta   131.61
_cell_angle_gamma   70.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2GeTe4
_chemical_formula_sum   'Zn1 Cu2 Ge1 Te4'
_cell_volume   228.35
_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  Zn0  1  0.0  0.0  0.09  1.0
  Cu  Cu1  1  0.0  0.06  0.04  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.06  0.0  0.04  1.0
  Te  Te4  1  0.47  0.59  0.51  1.0
  Te  Te5  1  0.6  0.47  0.59  1.0
  Te  Te6  1  0.54  0.47  0.49  1.0
  Te  Te7  1  0.53  0.6  0.58  1.0

data_ZnCu2GeTe4
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.12
_cell_length_b   6.12
_cell_length_c   7.47
_cell_angle_alpha   114.19
_cell_angle_beta   114.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCu2GeTe4
_chemical_formula_sum   'Zn1 Cu2 Ge1 Te4'
_cell_volume   228.35
_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  Zn0  1  0.09  0.09  0.09  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.98  0.04  0.98  1.0
  Ge  Ge3  1  0.04  0.98  0.98  1.0
  Te  Te4  1  0.03  0.96  0.49  1.0
  Te  Te5  1  0.12  1.0  0.53  1.0
  Te  Te6  1  0.92  0.04  0.45  1.0
  Te  Te7  1  0.99  0.06  0.46  1.0

Zn Cu Cu Ge Te Te Te Te
Zn Cu Cu Ge Te Te Te Te 0 1 o o o 0 3 o o o 0 2 o o o 1 2 o o o 2 3 o o o 4 7 o o o 5 6 o o o 