data_SrY2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84
_cell_length_b   6.84
_cell_length_c   6.84
_cell_angle_alpha   147.05
_cell_angle_beta   133.93
_cell_angle_gamma   57.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Ga
_chemical_formula_sum   'Sr1 Y2 Ga1'
_cell_volume   124.19
_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  Sr1  1  0.0  0.68  0.52  1.0
  Y  Y2  1  0.0  0.0  0.04  1.0
  Y  Y3  1  0.94  0.0  0.59  1.0
  Ga  Ga0  1  0.0  0.0  0.83  1.0

data_SrY2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.35
_cell_length_c   6.84
_cell_angle_alpha   113.04
_cell_angle_beta   106.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Ga
_chemical_formula_sum   'Sr1 Y2 Ga1'
_cell_volume   124.19
_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  0.32  0.84  0.84  1.0
  Y  Y1  1  0.0  0.04  0.04  1.0
  Y  Y2  1  0.0  0.59  0.65  1.0
  Ga  Ga3  1  0.0  0.83  0.83  1.0

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