data_CaNbPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNbPt2
_chemical_formula_sum   'Ca1 Nb1 Pt2'
_cell_volume   73.23
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Nb  Nb1  1  0.52  0.52  0.0  1.0
  Pt  Pt2  1  0.52  0.0  0.44  1.0
  Pt  Pt3  1  0.0  0.52  0.44  1.0

data_CaNbPt2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaNbPt2
_chemical_formula_sum   'Ca2 Nb2 Pt4'
_cell_volume   146.46
_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
  Ca  Ca0  2  0.0  0.0  0.0  1.0
  Nb  Nb1  2  0.02  0.5  -0.0  1.0
  Pt  Pt2  4  0.26  0.26  0.44  1.0

Ca Nb Pt Pt
CaNbPt2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a 8-coordinate geometry to eight equivalent Pt(1) atoms. There are a spread of Ca(1)-Pt(1) bond distances ranging from 2.73-3.08 Å. Nb(1) is bonded in a 8-coordinate geometry to eight equivalent Pt(1) atoms. There are a spread of Nb(1)-Pt(1) bond distances ranging from 2.73-3.08 Å. Pt(1) is bonded in a 8-coordinate geometry to four equivalent Ca(1) and four equivalent Nb(1) atoms.