data_KBaTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.1
_cell_length_b   5.75
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaTe2
_chemical_formula_sum   'K1 Ba1 Te2'
_cell_volume   167.7
_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  K1  1  0.0  0.0  0.29  1.0
  Ba  Ba0  1  0.05  0.88  0.63  1.0
  Te  Te2  1  0.05  0.88  0.15  1.0
  Te  Te3  1  0.0  0.0  0.71  1.0

data_KBaTe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.1
_cell_length_b   5.75
_cell_length_c   7.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaTe2
_chemical_formula_sum   'K1 Ba1 Te2'
_cell_volume   167.7
_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  0.29  1.0
  Ba  Ba1  1  0.05  0.88  0.63  1.0
  Te  Te2  1  0.0  0.0  0.71  1.0
  Te  Te3  1  0.05  0.88  0.15  1.0

K Ba Te Te