data_TiGa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2P
_chemical_formula_sum   'Ti1 Ga2 P1'
_cell_volume   68.17
_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
  Ti  Ti3  1  0.82  0.0  0.22  1.0
  Ga  Ga0  1  0.0  0.0  0.17  1.0
  Ga  Ga1  1  0.82  0.0  0.13  1.0
  P  P2  1  0.0  0.0  0.81  1.0

data_TiGa2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   2.91
_cell_length_c   8.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGa2P
_chemical_formula_sum   'Ti1 Ga2 P1'
_cell_volume   68.17
_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
  Ti  Ti0  1  0.82  0.0  0.22  1.0
  Ga  Ga1  1  0.0  0.0  0.17  1.0
  Ga  Ga2  1  0.82  0.0  0.13  1.0
  P  P3  1  0.0  0.0  0.81  1.0

Ti Ga Ga P