data_GaSn2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2P
_chemical_formula_sum   'Ga1 Sn2 P1'
_cell_volume   91.15
_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  0.0  0.0  0.6  1.0
  Sn  Sn2  1  0.4  0.0  0.57  1.0
  Sn  Sn3  1  0.4  0.0  0.62  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_GaSn2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaSn2P
_chemical_formula_sum   'Ga1 Sn2 P1'
_cell_volume   91.15
_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  0.0  0.0  0.6  1.0
  Sn  Sn1  1  0.4  0.0  0.57  1.0
  Sn  Sn2  1  0.4  0.0  0.62  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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