data_Mg2ZrGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.7
_cell_length_b   5.7
_cell_length_c   5.67
_cell_angle_alpha   114.78
_cell_angle_beta   114.78
_cell_angle_gamma   30.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrGa
_chemical_formula_sum   'Mg2 Zr1 Ga1'
_cell_volume   83.04
_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  0.9  0.0  0.77  1.0
  Mg  Mg2  1  0.79  0.0  0.16  1.0
  Zr  Zr3  1  0.35  0.0  0.05  1.0
  Ga  Ga0  1  0.32  0.0  0.8  1.0

data_Mg2ZrGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.67
_cell_length_c   5.7
_cell_angle_alpha   114.78
_cell_angle_beta   105.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2ZrGa
_chemical_formula_sum   'Mg2 Zr1 Ga1'
_cell_volume   83.04
_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  0.16  0.79  1.0
  Mg  Mg1  1  0.0  0.77  0.9  1.0
  Zr  Zr2  1  0.0  0.05  0.35  1.0
  Ga  Ga3  1  0.0  0.8  0.32  1.0

Mg Mg Zr Ga