data_NaLuO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.88
_cell_length_b   5.88
_cell_length_c   5.88
_cell_angle_alpha   32.91
_cell_angle_beta   32.91
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLuO2
_chemical_formula_sum   'Na1 Lu1 O2'
_cell_volume   53.48
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Lu  Lu1  1  0.0  0.0  0.34  1.0
  O  O2  1  0.0  0.0  0.93  1.0
  O  O3  1  0.0  0.0  0.75  1.0

data_NaLuO2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.77
_cell_length_b   3.33
_cell_length_c   5.88
_cell_angle_alpha   90.0
_cell_angle_beta   109.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLuO2
_chemical_formula_sum   'Na2 Lu2 O4'
_cell_volume   106.97
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Lu  Lu1  2  0.0  0.0  0.66  1.0
  O  O2  2  -0.0  0.0  0.25  1.0
  O  O3  2  0.0  0.0  0.07  1.0

Na Lu O O
Na Lu O O 0 2 o o - 0 1 o o o 1 2 o o - 1 3 o o o 2 3 o o o 