data_KLa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   7.11
_cell_angle_alpha   116.71
_cell_angle_beta   116.71
_cell_angle_gamma   33.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ru
_chemical_formula_sum   'K1 La2 Ru1'
_cell_volume   157.7
_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  0.96  0.0  0.67  1.0
  La  La1  1  0.87  0.0  0.6  1.0
  La  La2  1  0.57  0.0  0.35  1.0
  Ru  Ru3  1  0.92  0.0  0.81  1.0

data_KLa2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   6.73
_cell_length_c   7.11
_cell_angle_alpha   116.71
_cell_angle_beta   90.0
_cell_angle_gamma   106.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLa2Ru
_chemical_formula_sum   'K1 La2 Ru1'
_cell_volume   157.7
_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  0.04  0.33  1.0
  La  La1  1  0.0  0.13  0.4  1.0
  La  La2  1  0.0  0.43  0.65  1.0
  Ru  Ru3  1  0.0  0.08  0.19  1.0

K La La Ru
K La La Ru 0 1 o o o 0 3 o o o 1 2 o o o 