data_KTe2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   7.14
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   97.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Br
_chemical_formula_sum   'K1 Te2 Br1'
_cell_volume   139.2
_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  0.0  1.0
  Te  Te2  1  0.87  0.57  0.67  1.0
  Te  Te3  1  0.5  0.57  0.44  1.0
  Br  Br0  1  0.59  0.0  0.05  1.0

data_KTe2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   6.16
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   97.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Br
_chemical_formula_sum   'K1 Te2 Br1'
_cell_volume   139.2
_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
  Te  Te1  1  0.13  0.33  0.43  1.0
  Te  Te2  1  0.5  0.56  0.43  1.0
  Br  Br3  1  0.41  0.95  0.0  1.0

K Te Te Br