data_GaSnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.87
_cell_angle_alpha   93.22
_cell_angle_beta   93.22
_cell_angle_gamma   59.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSnP2
_chemical_formula_sum   'Ga1 Sn1 P2'
_cell_volume   92.22
_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
  Ga  Ga0  1  0.58  0.0  0.66  1.0
  Sn  Sn3  1  0.42  0.0  0.14  1.0
  P  P1  1  0.04  0.0  0.51  1.0
  P  P2  1  0.09  0.0  0.83  1.0

data_GaSnP2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.94
_cell_length_b   6.82
_cell_length_c   6.87
_cell_angle_alpha   90.0
_cell_angle_beta   93.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaSnP2
_chemical_formula_sum   'Ga2 Sn2 P4'
_cell_volume   184.54
_cell_formula_units_Z   2
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
  Ga  Ga0  2  0.42  0.0  0.34  1.0
  Sn  Sn1  2  0.08  0.5  0.86  1.0
  P  P2  2  0.41  0.5  0.17  1.0
  P  P3  2  0.46  0.5  0.49  1.0

Ga Sn P P
Ga Sn P P 0 2 o o o 0 2 + o o 0 3 o o o 0 3 + o o 1 3 o o - 2 3 o o o 