data_NaLaO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   57.54
_cell_angle_beta   57.54
_cell_angle_gamma   57.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLaO3
_chemical_formula_sum   'Na2 La2 O6'
_cell_volume   160.02
_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
  Na  Na2  1  0.0  0.0  0.57  1.0
  Na  Na3  1  0.0  0.0  0.93  1.0
  La  La0  1  0.0  0.0  0.05  1.0
  La  La1  1  0.0  0.0  0.44  1.0
  O  O4  1  0.66  0.25  0.53  1.0
  O  O5  1  0.18  0.71  0.53  1.0
  O  O6  1  0.16  0.03  0.53  1.0
  O  O7  1  0.84  0.97  0.97  1.0
  O  O8  1  0.82  0.29  0.97  1.0
  O  O9  1  0.34  0.75  0.97  1.0

data_NaLaO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   6.21
_cell_angle_alpha   61.23
_cell_angle_beta   61.23
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   NaLaO3
_chemical_formula_sum   'Na2 La2 O6'
_cell_volume   160.02
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.0  0.18  0.32  1.0
  La  La1  2  0.0  0.31  0.19  1.0
  O  O2  2  0.03  0.78  0.53  1.0
  O  O3  2  0.25  0.78  0.81  1.0
  O  O4  2  0.29  0.22  0.17  1.0

Na Na La La O O O O O O