data_YGaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   3.79
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaP
_chemical_formula_sum   'Y3 Ga3 P3'
_cell_volume   183.36
_cell_formula_units_Z   3
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  Y6  1  0.56  0.49  0.0  1.0
  Y  Y7  1  0.3  0.98  0.0  1.0
  Y  Y8  1  0.87  0.0  0.0  1.0
  Ga  Ga0  1  0.74  0.16  0.89  1.0
  Ga  Ga1  1  0.0  0.32  0.89  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.38  0.53  0.89  1.0
  P  P4  1  0.12  0.94  0.89  1.0
  P  P5  1  0.23  0.0  0.89  1.0

data_YGaP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   7.47
_cell_length_c   7.47
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaP
_chemical_formula_sum   'Y3 Ga3 P3'
_cell_volume   183.36
_cell_formula_units_Z   3
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  -0.0  0.56  0.49  1.0
  Y  Y1  1  -0.0  0.3  0.98  1.0
  Y  Y2  1  0.0  0.87  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Ga  Ga4  1  0.89  0.0  0.32  1.0
  Ga  Ga5  1  0.89  0.74  0.16  1.0
  P  P6  1  0.89  0.12  0.94  1.0
  P  P7  1  0.89  0.23  0.0  1.0
  P  P8  1  0.89  0.38  0.53  1.0

Y Y Y Ga Ga Ga P P P
Y Y Y Ga Ga Ga P P P 0 6 o o - 1 8 o + - 2 5 + o o 2 3 o o - 3 4 + o o 7 8 o + o 