data_Mg2ZnGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   133.58
_cell_angle_beta   133.58
_cell_angle_gamma   67.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnGa
_chemical_formula_sum   'Mg2 Zn1 Ga1'
_cell_volume   75.44
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.08  0.0  0.19  1.0
  Zn  Zn3  1  0.0  0.0  0.37  1.0
  Ga  Ga0  1  0.0  0.08  0.19  1.0

data_Mg2ZnGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   4.15
_cell_length_c   5.27
_cell_angle_alpha   113.21
_cell_angle_beta   113.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZnGa
_chemical_formula_sum   'Mg2 Zn1 Ga1'
_cell_volume   75.44
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Mg  Mg1  1  0.19  0.11  0.11  1.0
  Zn  Zn2  1  0.37  0.37  0.37  1.0
  Ga  Ga3  1  0.11  0.19  0.11  1.0

Mg Mg Zn Ga
Mg Mg Zn Ga 0 3 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 