data_KTeRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.79
_cell_length_b   6.79
_cell_length_c   6.79
_cell_angle_alpha   150.78
_cell_angle_beta   149.52
_cell_angle_gamma   42.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeRu
_chemical_formula_sum   'K1 Te1 Ru1'
_cell_volume   77.2
_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  0.61  1.0
  Te  Te2  1  0.0  0.0  1.0  1.0
  Ru  Ru1  1  0.0  0.0  0.67  1.0

data_KTeRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   3.57
_cell_length_c   6.79
_cell_angle_alpha   105.24
_cell_angle_beta   104.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTeRu
_chemical_formula_sum   'K1 Te1 Ru1'
_cell_volume   77.2
_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  0.61  0.61  1.0
  Te  Te1  1  0.0  1.0  1.0  1.0
  Ru  Ru2  1  0.0  0.67  0.67  1.0

K Te Ru