data_GeAsP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.73
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeAsP
_chemical_formula_sum   'Ge2 As2 P2'
_cell_volume   116.97
_cell_formula_units_Z   2
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  Ge2  1  0.0  0.0  0.0  1.0
  Ge  Ge3  1  0.86  0.86  0.0  1.0
  As  As0  1  0.86  0.0  0.41  1.0
  As  As1  1  0.0  0.86  0.01  1.0
  P  P4  1  0.86  0.0  1.0  1.0
  P  P5  1  0.0  0.86  0.42  1.0

data_GeAsP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   8.42
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GeAsP
_chemical_formula_sum   'Ge4 As4 P4'
_cell_volume   233.95
_cell_formula_units_Z   4
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
  Ge  Ge0  4  0.43  0.43  0.0  1.0
  As  As1  2  0.0  0.0  0.01  1.0
  As  As2  2  0.36  0.5  0.41  1.0
  P  P3  2  0.0  0.0  0.42  1.0
  P  P4  2  0.36  0.5  1.0  1.0

Ge Ge As As P P
Ge Ge As As P P 0 4 - o - 0 3 o - o 1 4 o + - 1 3 + o o 2 5 + - o 