data_Ba2LiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   9.13
_cell_angle_alpha   104.02
_cell_angle_beta   104.02
_cell_angle_gamma   57.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiTe
_chemical_formula_sum   'Ba2 Li1 Te1'
_cell_volume   185.87
_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  0.28  0.0  0.41  1.0
  Ba  Ba1  1  0.99  0.0  0.36  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.14  0.0  0.39  1.0

data_Ba2LiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.82
_cell_length_b   5.01
_cell_length_c   9.13
_cell_angle_alpha   104.02
_cell_angle_beta   90.0
_cell_angle_gamma   118.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2LiTe
_chemical_formula_sum   'Ba2 Li1 Te1'
_cell_volume   185.87
_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  0.01  0.64  1.0
  Ba  Ba1  1  0.0  0.72  0.59  1.0
  Li  Li2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  0.0  0.86  0.61  1.0

Ba Ba Li Te