data_NaGaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   4.57
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaPt2
_chemical_formula_sum   'Na1 Ga1 Pt2'
_cell_volume   65.8
_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  0.84  0.0  0.78  1.0
  Ga  Ga0  1  0.28  0.28  0.45  1.0
  Pt  Pt2  1  0.67  0.28  0.05  1.0
  Pt  Pt3  1  0.31  0.0  0.34  1.0

data_NaGaPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.57
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   104.68
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaGaPt2
_chemical_formula_sum   'Na1 Ga1 Pt2'
_cell_volume   65.8
_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  0.84  0.0  0.78  1.0
  Ga  Ga1  1  0.28  0.28  0.45  1.0
  Pt  Pt2  1  0.31  0.0  0.34  1.0
  Pt  Pt3  1  0.67  0.28  0.05  1.0

Na Ga Pt Pt
Na Ga Pt Pt 0 3 o o o 0 1 o o o 0 1 + o o 0 2 o o + 0 2 + o + 1 3 o o o 1 2 o o o 1 2 - o o 2 3 o o o 2 3 + o o 