data_CaP2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.6
_cell_length_b   4.6
_cell_length_c   4.6
_cell_angle_alpha   118.79
_cell_angle_beta   118.79
_cell_angle_gamma   92.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaP2Pt
_chemical_formula_sum   'Ca1 P2 Pt1'
_cell_volume   69.81
_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
  P  P1  1  0.34  0.0  0.59  1.0
  P  P2  1  0.0  0.34  0.59  1.0
  Pt  Pt3  1  0.0  0.0  0.19  1.0

data_CaP2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   6.62
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   133.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaP2Pt
_chemical_formula_sum   'Ca2 P4 Pt2'
_cell_volume   139.62
_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
  P  P1  4  0.33  0.33  0.41  1.0
  Pt  Pt2  2  0.0  0.0  0.81  1.0

Ca P P Pt
Ca P P Pt 0 3 o o o 1 3 o o o 2 3 o o o 
CaPtP2 crystallizes in the monoclinic Cm space group. Ca(1) is bonded in a single-bond geometry to one Pt(1) and four equivalent P(1) atoms. The Ca(1)-Pt(1) bond length is 0.87 Å. There are two shorter (2.69 Å) and two longer (2.95 Å) Ca(1)-P(1) bond lengths. Pt(1) is bonded in a single-bond geometry to one Ca(1) and two equivalent P(1) atoms. Both Pt(1)-P(1) bond lengths are 1.76 Å. P(1) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one Pt(1) atom.