data_NbSi2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   139.89
_cell_angle_beta   139.89
_cell_angle_gamma   58.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Pt
_chemical_formula_sum   'Nb1 Si2 Pt1'
_cell_volume   60.16
_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
  Nb  Nb0  1  0.0  0.0  0.61  1.0
  Si  Si2  1  0.0  0.0  0.0  1.0
  Si  Si3  1  0.81  0.0  0.3  1.0
  Pt  Pt1  1  0.0  0.81  0.3  1.0

data_NbSi2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.61
_cell_length_c   5.27
_cell_angle_alpha   110.06
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbSi2Pt
_chemical_formula_sum   'Nb1 Si2 Pt1'
_cell_volume   60.16
_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
  Nb  Nb0  1  0.61  0.61  0.61  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.3  0.5  0.5  1.0
  Pt  Pt3  1  0.5  0.3  0.5  1.0

Nb Si Si Pt
Nb Si Si Pt 0 2 - o o 0 3 o - o 0 1 o o + 1 2 - o o 1 3 o - o 2 3 + - o 