data_CoGe2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   3.73
_cell_angle_alpha   107.81
_cell_angle_beta   107.81
_cell_angle_gamma   126.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Te
_chemical_formula_sum   'Co1 Ge2 Te1'
_cell_volume   73.85
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.04  0.43  0.38  1.0
  Ge  Ge2  1  0.04  0.57  0.38  1.0
  Te  Te3  1  0.61  0.0  0.0  1.0

data_CoGe2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.85
_cell_length_c   5.76
_cell_angle_alpha   108.46
_cell_angle_beta   107.81
_cell_angle_gamma   93.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoGe2Te
_chemical_formula_sum   'Co1 Ge2 Te1'
_cell_volume   73.85
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.81  0.43  0.47  1.0
  Ge  Ge2  1  0.95  0.57  0.61  1.0
  Te  Te3  1  0.0  0.0  0.61  1.0

Co Ge Ge Te
Co Ge Ge Te 0 1 o o o 0 3 - o o 1 2 o o o 1 3 - o o 2 3 o + + 2 3 - o o 