data_SrCrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27
_cell_length_b   3.39
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrGa2
_chemical_formula_sum   'Sr1 Cr1 Ga2'
_cell_volume   77.42
_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  Sr3  1  0.95  0.0  0.5  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.61  0.69  0.25  1.0
  Ga  Ga2  1  0.55  0.69  0.74  1.0

data_SrCrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.39
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   90.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrGa2
_chemical_formula_sum   'Sr1 Cr1 Ga2'
_cell_volume   77.42
_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  Sr0  1  0.95  0.0  0.5  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ga  Ga2  1  0.55  0.69  0.74  1.0
  Ga  Ga3  1  0.61  0.69  0.25  1.0

Sr Cr Ga Ga
Sr Cr Ga Ga 0 2 o - o 0 3 o - o 0 3 + - o 1 3 - - - 1 3 o - - 1 2 - - o 1 2 o - o 