data_Sr2GaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaP
_chemical_formula_sum   'Sr2 Ga1 P1'
_cell_volume   110.06
_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
  Sr  Sr2  1  0.96  0.96  0.58  1.0
  Sr  Sr3  1  0.96  0.96  0.6  1.0
  Ga  Ga0  1  0.0  0.0  0.59  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Sr2GaP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   7.19
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2GaP
_chemical_formula_sum   'Sr4 Ga2 P2'
_cell_volume   220.12
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.46  0.5  0.58  1.0
  Sr  Sr1  2  0.46  0.5  0.6  1.0
  Ga  Ga2  2  0.0  0.0  0.59  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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