data_TiGaP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   141.39
_cell_angle_beta   141.39
_cell_angle_gamma   55.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaP2
_chemical_formula_sum   'Ti1 Ga1 P2'
_cell_volume   62.05
_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  0.0  0.0  0.8  1.0
  Ga  Ga0  1  0.0  0.8  0.4  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.8  0.0  0.4  1.0

data_TiGaP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   5.44
_cell_angle_alpha   109.3
_cell_angle_beta   109.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiGaP2
_chemical_formula_sum   'Ti1 Ga1 P2'
_cell_volume   62.05
_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  0.2  0.0  0.2  1.0
  Ga  Ga1  1  0.39  0.8  0.39  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.6  0.0  0.39  1.0

Ti Ga P P