data_NbAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51
_cell_length_b   8.51
_cell_length_c   8.51
_cell_angle_alpha   20.84
_cell_angle_beta   20.84
_cell_angle_gamma   20.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAs2Pt
_chemical_formula_sum   'Nb1 As2 Pt1'
_cell_volume   68.18
_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  Nb2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.0  0.0  0.26  1.0
  As  As1  1  0.0  0.0  0.69  1.0
  Pt  Pt3  1  0.0  0.0  0.48  1.0

data_NbAs2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.33
_cell_length_b   3.08
_cell_length_c   8.51
_cell_angle_alpha   90.0
_cell_angle_beta   102.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NbAs2Pt
_chemical_formula_sum   'Nb2 As4 Pt2'
_cell_volume   136.37
_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
  Nb  Nb0  2  0.0  0.0  0.0  1.0
  As  As1  2  -0.0  0.0  0.74  1.0
  As  As2  2  -0.0  0.0  0.31  1.0
  Pt  Pt3  2  -0.0  0.0  0.52  1.0

Nb As As Pt