data_KBa2Te
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.57
_cell_length_c   8.57
_cell_angle_alpha   149.4
_cell_angle_beta   134.34
_cell_angle_gamma   55.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa2Te
_chemical_formula_sum   'K1 Ba2 Te1'
_cell_volume   227.48
_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
  K  K2  1  0.0  0.0  0.0  1.0
  Ba  Ba0  1  0.0  0.32  0.6  1.0
  Ba  Ba1  1  0.26  0.0  0.96  1.0
  Te  Te3  1  0.0  0.0  0.57  1.0

data_KBa2Te
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.52
_cell_length_b   6.65
_cell_length_c   8.57
_cell_angle_alpha   112.83
_cell_angle_beta   105.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBa2Te
_chemical_formula_sum   'K1 Ba2 Te1'
_cell_volume   227.48
_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
  K  K0  1  0.0  0.0  0.0  1.0
  Ba  Ba1  1  0.0  0.96  0.7  1.0
  Ba  Ba2  1  0.68  0.28  0.28  1.0
  Te  Te3  1  0.0  0.57  0.57  1.0

K Ba Ba Te