data_Rb3LuO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   7.22
_cell_angle_alpha   95.29
_cell_angle_beta   95.29
_cell_angle_gamma   115.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3LuO3
_chemical_formula_sum   'Rb6 Lu2 O6'
_cell_volume   340.22
_cell_formula_units_Z   2
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
  Rb  Rb0  1  0.25  0.7  0.56  1.0
  Rb  Rb1  1  0.88  0.94  0.0  1.0
  Rb  Rb2  1  0.47  0.0  0.52  1.0
  Rb  Rb3  1  0.03  0.0  0.59  1.0
  Rb  Rb4  1  0.88  0.06  0.0  1.0
  Rb  Rb5  1  0.25  0.3  0.56  1.0
  Lu  Lu6  1  0.34  0.0  0.06  1.0
  Lu  Lu7  1  0.16  0.0  0.05  1.0
  O  O8  1  0.51  0.7  0.21  1.0
  O  O9  1  0.79  0.0  0.1  1.0
  O  O10  1  0.99  0.7  0.9  1.0
  O  O11  1  0.51  0.3  0.21  1.0
  O  O12  1  0.71  0.0  0.01  1.0
  O  O13  1  0.99  0.3  0.9  1.0

data_Rb3LuO3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.22
_cell_length_b   7.29
_cell_length_c   7.29
_cell_angle_alpha   115.72
_cell_angle_beta   95.29
_cell_angle_gamma   95.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Rb3LuO3
_chemical_formula_sum   'Rb6 Lu2 O6'
_cell_volume   340.22
_cell_formula_units_Z   2
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
  Rb  Rb0  1  -0.0  0.88  0.06  1.0
  Rb  Rb1  1  0.0  0.88  0.94  1.0
  Rb  Rb2  1  0.52  0.47  0.0  1.0
  Rb  Rb3  1  0.56  0.25  0.3  1.0
  Rb  Rb4  1  0.56  0.25  0.7  1.0
  Rb  Rb5  1  0.59  0.03  0.0  1.0
  Lu  Lu6  1  0.05  0.16  0.0  1.0
  Lu  Lu7  1  0.06  0.34  0.0  1.0
  O  O8  1  0.01  0.71  0.0  1.0
  O  O9  1  0.1  0.79  0.0  1.0
  O  O10  1  0.21  0.51  0.3  1.0
  O  O11  1  0.21  0.51  0.7  1.0
  O  O12  1  0.9  0.99  0.3  1.0
  O  O13  1  0.9  0.99  0.7  1.0

Rb Rb Rb Rb Rb Rb Lu Lu O O O O O O
Rb Rb Rb Rb Rb Rb Lu Lu O O O O O O 0 2 o + o 0 8 o o o 1 4 o + o 1 8 o o o 1 10 o o - 2 8 o - o 3 5 o o o 4 12 o o o 4 9 o o o 4 13 o o - 6 7 o o o 6 8 o - o 6 10 - - - 6 11 o o o 7 10 - - - 8 11 o o o 8 12 o + o 8 9 o + o 9 12 o o o 