data_SrZn2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   3.35
_cell_angle_alpha   103.53
_cell_angle_beta   103.53
_cell_angle_gamma   116.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Ga
_chemical_formula_sum   'Sr1 Zn2 Ga1'
_cell_volume   95.71
_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  0.13  0.0  0.0  1.0
  Zn  Zn2  1  0.82  0.45  0.5  1.0
  Zn  Zn3  1  0.82  0.55  0.5  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0

data_SrZn2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   5.63
_cell_length_c   5.98
_cell_angle_alpha   116.34
_cell_angle_beta   103.53
_cell_angle_gamma   95.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZn2Ga
_chemical_formula_sum   'Sr1 Zn2 Ga1'
_cell_volume   95.71
_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  0.0  0.13  1.0
  Zn  Zn1  1  0.05  0.55  0.36  1.0
  Zn  Zn2  1  0.95  0.45  0.27  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Sr Zn Zn Ga
Sr Zn Zn Ga 0 3 o o o 1 2 o o o 