data_KTe2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.62
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   34.88
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Ru
_chemical_formula_sum   'K1 Te2 Ru1'
_cell_volume   138.3
_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  0.63  1.0
  Te  Te2  1  0.0  0.0  0.6  1.0
  Te  Te3  1  0.31  0.0  0.93  1.0
  Ru  Ru1  1  0.31  0.0  0.64  1.0

data_KTe2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.34
_cell_length_b   4.62
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   107.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTe2Ru
_chemical_formula_sum   'K1 Te2 Ru1'
_cell_volume   138.3
_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  0.37  0.0  0.37  1.0
  Te  Te1  1  0.07  0.31  0.07  1.0
  Te  Te2  1  0.4  0.0  0.4  1.0
  Ru  Ru3  1  0.36  0.31  0.36  1.0

K Te Te Ru
K Te Te Ru 0 1 o o o 0 3 o o o 1 3 o o o 2 3 o o o 