data_Ba2YMg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   6.4
_cell_angle_alpha   112.59
_cell_angle_beta   112.59
_cell_angle_gamma   32.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMg
_chemical_formula_sum   'Ba2 Y1 Mg1'
_cell_volume   170.67
_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  0.11  0.0  0.14  1.0
  Ba  Ba1  1  0.34  0.0  0.17  1.0
  Y  Y3  1  0.49  0.0  0.59  1.0
  Mg  Mg2  1  0.56  0.0  0.91  1.0

data_Ba2YMg
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   6.4
_cell_length_c   7.4
_cell_angle_alpha   112.59
_cell_angle_beta   106.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YMg
_chemical_formula_sum   'Ba2 Y1 Mg1'
_cell_volume   170.67
_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  0.14  0.11  1.0
  Ba  Ba1  1  0.0  0.17  0.34  1.0
  Y  Y2  1  0.0  0.59  0.49  1.0
  Mg  Mg3  1  0.0  0.91  0.56  1.0

Ba Ba Y Mg