data_BaLaMg2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   5.97
_cell_angle_alpha   113.14
_cell_angle_beta   113.14
_cell_angle_gamma   32.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaMg2
_chemical_formula_sum   'Ba1 La1 Mg2'
_cell_volume   139.84
_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
  Ba  Ba0  1  0.58  0.0  0.91  1.0
  La  La1  1  0.05  0.0  0.15  1.0
  Mg  Mg2  1  0.44  0.0  0.43  1.0
  Mg  Mg3  1  0.85  0.0  0.14  1.0

data_BaLaMg2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.97
_cell_length_c   6.89
_cell_angle_alpha   113.14
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaMg2
_chemical_formula_sum   'Ba1 La1 Mg2'
_cell_volume   139.84
_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
  Ba  Ba0  1  0.0  0.91  0.58  1.0
  La  La1  1  0.0  0.15  0.05  1.0
  Mg  Mg2  1  0.0  0.14  0.85  1.0
  Mg  Mg3  1  0.0  0.43  0.44  1.0

Ba La Mg Mg