data_Sr2GaFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.24
_cell_angle_alpha   97.66
_cell_angle_beta   97.66
_cell_angle_gamma   35.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaFe
_chemical_formula_sum   'Sr2 Ga1 Fe1'
_cell_volume   103.48
_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  0.41  0.0  0.12  1.0
  Sr  Sr3  1  0.29  0.0  0.39  1.0
  Ga  Ga1  1  0.23  0.0  0.89  1.0
  Fe  Fe0  1  0.26  0.0  0.57  1.0

data_Sr2GaFe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   5.24
_cell_length_c   5.88
_cell_angle_alpha   97.66
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaFe
_chemical_formula_sum   'Sr2 Ga1 Fe1'
_cell_volume   103.48
_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  0.0  0.12  0.41  1.0
  Sr  Sr1  1  0.0  0.39  0.29  1.0
  Ga  Ga2  1  0.0  0.89  0.23  1.0
  Fe  Fe3  1  0.0  0.57  0.26  1.0

Sr Sr Ga Fe
Sr Sr Ga Fe 0 2 o o - 0 1 o o o 1 3 o o o 2 3 o o o 