data_Na2RePt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   5.72
_cell_angle_alpha   141.84
_cell_angle_beta   141.84
_cell_angle_gamma   55.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2RePt
_chemical_formula_sum   'Na2 Re1 Pt1'
_cell_volume   71.07
_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  0.87  0.0  0.54  1.0
  Na  Na1  1  0.0  0.87  0.54  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.07  1.0

data_Na2RePt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.72
_cell_angle_alpha   90.0
_cell_angle_beta   117.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2RePt
_chemical_formula_sum   'Na4 Re2 Pt2'
_cell_volume   142.13
_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  4  0.1  0.44  0.67  1.0
  Re  Re1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.07  0.0  0.07  1.0

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