data_Ge2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   3.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeP
_chemical_formula_sum   'Ge2 Te1 P1'
_cell_volume   86.18
_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  0.77  0.21  0.97  1.0
  Ge  Ge1  1  0.77  0.79  0.97  1.0
  Te  Te3  1  0.77  0.0  0.0  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ge2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   109.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ge2TeP
_chemical_formula_sum   'Ge2 Te1 P1'
_cell_volume   86.18
_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  0.97  0.77  0.21  1.0
  Ge  Ge1  1  0.97  0.77  0.79  1.0
  Te  Te2  1  -0.0  0.77  0.0  1.0
  P  P3  1  0.0  0.0  0.0  1.0

Ge Ge Te P
Ge Ge Te P 0 2 o o + 1 2 o + + 1 3 + + + 2 3 + o o 