data_BaLi2Zn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   6.46
_cell_angle_alpha   111.93
_cell_angle_beta   111.93
_cell_angle_gamma   55.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Zn
_chemical_formula_sum   'Ba1 Li2 Zn1'
_cell_volume   113.82
_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  0.86  0.0  0.54  1.0
  Li  Li1  1  0.86  0.0  0.9  1.0
  Li  Li2  1  0.08  0.0  0.26  1.0
  Zn  Zn3  1  0.92  0.0  0.95  1.0

data_BaLi2Zn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.86
_cell_length_c   6.46
_cell_angle_alpha   111.93
_cell_angle_beta   90.0
_cell_angle_gamma   117.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Zn
_chemical_formula_sum   'Ba1 Li2 Zn1'
_cell_volume   113.82
_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  0.46  1.0
  Li  Li1  1  0.0  0.14  0.1  1.0
  Li  Li2  1  0.0  0.92  0.74  1.0
  Zn  Zn3  1  0.0  0.08  0.05  1.0

Ba Li Li Zn