data_Nb2AsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06
_cell_length_b   5.06
_cell_length_c   5.06
_cell_angle_alpha   133.89
_cell_angle_beta   133.89
_cell_angle_gamma   67.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2AsPt
_chemical_formula_sum   'Nb2 As1 Pt1'
_cell_volume   66.16
_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  Nb1  1  0.98  0.0  0.11  1.0
  Nb  Nb2  1  0.0  0.98  0.11  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.0  0.0  0.21  1.0

data_Nb2AsPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   123.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Nb2AsPt
_chemical_formula_sum   'Nb4 As2 Pt2'
_cell_volume   132.33
_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  4  0.01  0.01  0.13  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Pt  Pt2  2  0.0  0.0  0.21  1.0

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