data_BaMg2Ga
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   144.53
_cell_angle_beta   126.83
_cell_angle_gamma   65.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Ga
_chemical_formula_sum   'Ba1 Mg2 Ga1'
_cell_volume   119.16
_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
  Ba  Ba0  1  0.0  0.0  0.37  1.0
  Mg  Mg2  1  0.0  0.86  0.15  1.0
  Mg  Mg3  1  0.94  0.0  0.22  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0

data_BaMg2Ga
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   5.71
_cell_length_c   6.38
_cell_angle_alpha   116.59
_cell_angle_beta   107.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2Ga
_chemical_formula_sum   'Ba1 Mg2 Ga1'
_cell_volume   119.16
_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
  Ba  Ba0  1  0.0  0.37  0.37  1.0
  Mg  Mg1  1  0.0  0.22  0.27  1.0
  Mg  Mg2  1  0.14  0.29  0.29  1.0
  Ga  Ga3  1  0.0  0.0  0.0  1.0

Ba Mg Mg Ga