data_KTe2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22
_cell_length_b   6.22
_cell_length_c   6.22
_cell_angle_alpha   136.58
_cell_angle_beta   136.58
_cell_angle_gamma   63.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Se
_chemical_formula_sum   'K1 Te2 Se1'
_cell_volume   112.05
_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  Te2  1  0.0  0.0  0.3  1.0
  Te  Te3  1  0.0  0.3  0.65  1.0
  Se  Se1  1  0.3  0.0  0.65  1.0

data_KTe2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   6.22
_cell_angle_alpha   111.71
_cell_angle_beta   111.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Se
_chemical_formula_sum   'K1 Te2 Se1'
_cell_volume   112.05
_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  0.3  0.3  0.3  1.0
  Te  Te2  1  0.35  0.65  0.35  1.0
  Se  Se3  1  0.65  0.35  0.35  1.0

K Te Te Se
K Te Te Se 0 1 o o o 1 2 o o o 1 3 o o o 