data_NaLa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.91
_cell_length_b   9.91
_cell_length_c   9.91
_cell_angle_alpha   23.45
_cell_angle_beta   23.45
_cell_angle_gamma   23.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaLa2Co
_chemical_formula_sum   'Na1 La2 Co1'
_cell_volume   135.19
_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  Na3  1  0.0  0.0  0.0  1.0
  La  La1  1  0.0  0.0  0.3  1.0
  La  La2  1  0.0  0.0  0.59  1.0
  Co  Co0  1  0.0  0.0  0.45  1.0

data_NaLa2Co
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.97
_cell_length_b   4.03
_cell_length_c   9.91
_cell_angle_alpha   90.0
_cell_angle_beta   103.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaLa2Co
_chemical_formula_sum   'Na2 La4 Co2'
_cell_volume   270.38
_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
  La  La1  2  0.0  0.0  0.41  1.0
  La  La2  2  0.0  0.0  0.7  1.0
  Co  Co3  2  0.0  0.0  0.55  1.0

Na La La Co
Na La La Co 0 1 o o o 1 3 o o o 2 3 o o o 