data_NaCaLa2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   6.41
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   96.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaLa2
_chemical_formula_sum   'Na1 Ca1 La2'
_cell_volume   150.7
_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
  Na  Na3  1  0.0  0.0  0.0  1.0
  Ca  Ca0  1  0.45  0.0  0.24  1.0
  La  La1  1  0.31  0.21  0.83  1.0
  La  La2  1  0.6  0.21  0.65  1.0

data_NaCaLa2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   6.41
_cell_length_c   6.52
_cell_angle_alpha   90.0
_cell_angle_beta   96.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaCaLa2
_chemical_formula_sum   'Na1 Ca1 La2'
_cell_volume   150.7
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Ca  Ca1  1  0.45  0.0  0.24  1.0
  La  La2  1  0.31  0.21  0.83  1.0
  La  La3  1  0.6  0.21  0.65  1.0

Na Ca La La