data_Na2LaPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   9.5
_cell_angle_alpha   102.16
_cell_angle_beta   102.16
_cell_angle_gamma   59.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaPt
_chemical_formula_sum   'Na2 La1 Pt1'
_cell_volume   138.24
_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  Na1  1  0.97  0.0  0.02  1.0
  Na  Na2  1  0.07  0.0  0.33  1.0
  La  La0  1  0.88  0.0  0.12  1.0
  Pt  Pt3  1  0.48  0.0  0.58  1.0

data_Na2LaPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.18
_cell_length_c   9.5
_cell_angle_alpha   102.16
_cell_angle_beta   90.0
_cell_angle_gamma   119.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2LaPt
_chemical_formula_sum   'Na2 La1 Pt1'
_cell_volume   138.24
_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  0.03  0.98  1.0
  Na  Na1  1  0.0  0.93  0.67  1.0
  La  La2  1  0.0  0.12  0.88  1.0
  Pt  Pt3  1  0.0  0.52  0.42  1.0

Na Na La Pt
Na Na La Pt 0 2 o o o 1 2 - o o 1 3 o o o 