data_Mg2TaAl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   131.83
_cell_angle_beta   131.83
_cell_angle_gamma   70.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaAl
_chemical_formula_sum   'Mg2 Ta1 Al1'
_cell_volume   73.84
_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  0.1  0.1  1.0
  Mg  Mg2  1  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.1  0.0  0.1  1.0
  Al  Al0  1  0.0  0.0  0.2  1.0

data_Mg2TaAl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.19
_cell_length_b   4.19
_cell_length_c   5.14
_cell_angle_alpha   114.08
_cell_angle_beta   114.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2TaAl
_chemical_formula_sum   'Mg2 Ta1 Al1'
_cell_volume   73.84
_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  1.0  0.1  1.0  1.0
  Ta  Ta2  1  0.9  0.0  1.0  1.0
  Al  Al3  1  0.8  0.0  0.8  1.0

Mg Mg Ta Al