data_GeTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   128.85
_cell_angle_beta   128.85
_cell_angle_gamma   75.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2Os
_chemical_formula_sum   'Ge1 Te2 Os1'
_cell_volume   82.95
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.12  1.0
  Te  Te3  1  0.0  0.24  0.06  1.0
  Os  Os1  1  0.24  0.0  0.06  1.0

data_GeTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.2
_cell_angle_alpha   115.58
_cell_angle_beta   115.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeTe2Os
_chemical_formula_sum   'Ge1 Te2 Os1'
_cell_volume   82.95
_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
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.19  0.24  0.19  1.0
  Te  Te2  1  0.88  0.0  0.88  1.0
  Os  Os3  1  0.94  0.0  0.19  1.0

Ge Te Te Os