data_MgZrGa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64
_cell_length_b   5.64
_cell_length_c   4.39
_cell_angle_alpha   111.33
_cell_angle_beta   111.33
_cell_angle_gamma   36.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrGa2
_chemical_formula_sum   'Mg1 Zr1 Ga2'
_cell_volume   76.17
_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  Mg2  1  0.53  0.0  0.11  1.0
  Zr  Zr3  1  0.6  0.0  0.91  1.0
  Ga  Ga0  1  0.61  0.0  0.06  1.0
  Ga  Ga1  1  0.56  0.0  0.0  1.0

data_MgZrGa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.39
_cell_length_c   5.64
_cell_angle_alpha   111.33
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgZrGa2
_chemical_formula_sum   'Mg1 Zr1 Ga2'
_cell_volume   76.17
_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  0.11  0.53  1.0
  Zr  Zr1  1  0.0  0.91  0.6  1.0
  Ga  Ga2  1  0.0  0.0  0.56  1.0
  Ga  Ga3  1  0.0  0.06  0.61  1.0

Mg Zr Ga Ga