data_InGeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   4.01
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeP2
_chemical_formula_sum   'In1 Ge1 P2'
_cell_volume   80.4
_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
  In  In1  1  0.42  0.0  0.41  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.71  0.01  0.88  1.0
  P  P3  1  0.13  0.01  0.94  1.0

data_InGeP2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.16
_cell_length_b   4.01
_cell_length_c   5.0
_cell_angle_alpha   90.0
_cell_angle_beta   105.26
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InGeP2
_chemical_formula_sum   'In1 Ge1 P2'
_cell_volume   80.4
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  In  In0  1  0.42  0.0  0.41  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.13  0.0  0.94  1.0
  P  P3  1  0.71  0.0  0.88  1.0

In Ge P P
In Ge P P 0 1 o o o 0 3 o o - 0 2 o o o 1 3 o o - 1 2 - o - 