data_Ba2LiZr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.71
_cell_length_b   6.71
_cell_length_c   6.71
_cell_angle_alpha   143.74
_cell_angle_beta   126.27
_cell_angle_gamma   66.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiZr
_chemical_formula_sum   'Ba2 Li1 Zr1'
_cell_volume   142.22
_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  0.09  0.0  0.61  1.0
  Ba  Ba1  1  0.0  0.03  1.0  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.0  0.61  1.0

data_Ba2LiZr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.18
_cell_length_b   6.07
_cell_length_c   6.71
_cell_angle_alpha   116.87
_cell_angle_beta   108.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiZr
_chemical_formula_sum   'Ba2 Li1 Zr1'
_cell_volume   142.22
_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  0.61  0.52  1.0
  Ba  Ba1  1  0.97  0.96  0.96  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Zr  Zr3  1  0.0  0.61  0.61  1.0

Ba Ba Li Zr