data_NaMo2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.48
_cell_length_b   10.48
_cell_length_c   10.48
_cell_angle_alpha   15.3
_cell_angle_beta   15.3
_cell_angle_gamma   15.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaMo2Pt
_chemical_formula_sum   'Na1 Mo2 Pt1'
_cell_volume   69.85
_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  Na2  1  0.0  0.0  0.0  1.0
  Mo  Mo0  1  0.0  0.0  0.61  1.0
  Mo  Mo1  1  0.0  0.0  0.47  1.0
  Pt  Pt3  1  0.0  0.0  0.54  1.0

data_NaMo2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.83
_cell_length_b   2.79
_cell_length_c   10.48
_cell_angle_alpha   90.0
_cell_angle_beta   98.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaMo2Pt
_chemical_formula_sum   'Na2 Mo4 Pt2'
_cell_volume   139.7
_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
  Mo  Mo1  2  0.0  0.0  0.39  1.0
  Mo  Mo2  2  0.0  0.0  0.53  1.0
  Pt  Pt3  2  0.0  0.0  0.46  1.0

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