data_Sr2MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   6.26
_cell_angle_alpha   132.82
_cell_angle_beta   132.82
_cell_angle_gamma   68.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgGa
_chemical_formula_sum   'Sr2 Mg1 Ga1'
_cell_volume   129.25
_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  0.5  0.0  0.58  1.0
  Sr  Sr3  1  0.0  0.0  0.16  1.0
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Ga  Ga0  1  0.0  0.5  0.58  1.0

data_Sr2MgGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   6.26
_cell_angle_alpha   113.59
_cell_angle_beta   113.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2MgGa
_chemical_formula_sum   'Sr2 Mg1 Ga1'
_cell_volume   129.25
_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  0.42  0.0  0.92  1.0
  Sr  Sr1  1  0.84  0.0  0.84  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.92  0.5  0.92  1.0

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