data_YGa2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.11
_cell_length_c   3.94
_cell_angle_alpha   71.41
_cell_angle_beta   71.05
_cell_angle_gamma   37.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2P
_chemical_formula_sum   'Y1 Ga2 P1'
_cell_volume   84.58
_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
  Y  Y3  1  0.77  0.8  0.45  1.0
  Ga  Ga0  1  0.39  0.8  0.73  1.0
  Ga  Ga1  1  0.39  0.0  0.73  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_YGa2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.94
_cell_length_c   6.11
_cell_angle_alpha   108.59
_cell_angle_beta   108.59
_cell_angle_gamma   90.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGa2P
_chemical_formula_sum   'Y1 Ga2 P1'
_cell_volume   84.58
_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
  Y  Y0  1  0.8  0.02  0.57  1.0
  Ga  Ga1  1  0.0  0.11  0.39  1.0
  Ga  Ga2  1  0.8  0.91  0.19  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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