data_Ba2LiZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   150.03
_cell_angle_beta   130.52
_cell_angle_gamma   58.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiZr
_chemical_formula_sum   'Ba2 Li1 Zr1'
_cell_volume   146.23
_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  0.49  1.0
  Ba  Ba1  1  0.89  0.0  0.46  1.0
  Li  Li2  1  0.0  0.0  0.71  1.0
  Zr  Zr3  1  0.0  0.05  0.74  1.0

data_Ba2LiZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   6.11
_cell_length_c   7.29
_cell_angle_alpha   114.74
_cell_angle_beta   104.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiZr
_chemical_formula_sum   'Ba2 Li1 Zr1'
_cell_volume   146.23
_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  0.42  0.54  0.42  1.0
  Ba  Ba1  1  0.51  0.51  0.51  1.0
  Li  Li2  1  0.29  0.29  0.29  1.0
  Zr  Zr3  1  0.26  0.31  0.31  1.0

Ba Ba Li Zr
Ba Ba Li Zr 0 1 - o o 2 3 o o o 