data_MgGa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77
_cell_length_b   5.77
_cell_length_c   7.15
_cell_angle_alpha   108.33
_cell_angle_beta   108.33
_cell_angle_gamma   32.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa
_chemical_formula_sum   'Mg3 Ga3'
_cell_volume   120.41
_cell_formula_units_Z   3
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  0.76  0.0  0.65  1.0
  Mg  Mg1  1  0.57  0.0  0.38  1.0
  Mg  Mg2  1  0.96  0.0  0.36  1.0
  Ga  Ga3  1  0.03  0.0  0.84  1.0
  Ga  Ga4  1  0.14  0.0  0.49  1.0
  Ga  Ga5  1  0.58  0.0  0.65  1.0

data_MgGa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.77
_cell_length_c   7.15
_cell_angle_alpha   108.33
_cell_angle_beta   90.0
_cell_angle_gamma   106.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgGa
_chemical_formula_sum   'Mg3 Ga3'
_cell_volume   120.41
_cell_formula_units_Z   3
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  0.04  0.64  1.0
  Mg  Mg1  1  0.0  0.24  0.35  1.0
  Mg  Mg2  1  0.0  0.43  0.62  1.0
  Ga  Ga3  1  0.0  0.42  0.35  1.0
  Ga  Ga4  1  0.0  0.86  0.51  1.0
  Ga  Ga5  1  0.0  0.97  0.16  1.0

Mg Mg Mg Ga Ga Ga