data_Ca5Pt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.72
_cell_length_b   6.72
_cell_length_c   4.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pt3
_chemical_formula_sum   'Ca5 Pt3'
_cell_volume   200.8
_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
  Ca  Ca1  1  0.94  0.75  0.0  1.0
  Ca  Ca2  1  0.94  0.25  0.0  1.0
  Ca  Ca3  1  0.26  0.0  0.36  1.0
  Ca  Ca4  1  0.49  0.0  0.36  1.0
  Pt  Pt5  1  0.87  0.0  0.0  1.0
  Pt  Pt6  1  0.87  0.51  0.36  1.0
  Pt  Pt7  1  0.87  0.49  0.36  1.0

data_Ca5Pt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.72
_cell_length_b   6.72
_cell_length_c   6.72
_cell_angle_alpha   109.71
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca5Pt3
_chemical_formula_sum   'Ca5 Pt3'
_cell_volume   200.8
_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  0.94  0.25  1.0
  Ca  Ca1  1  -0.0  0.94  0.75  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Ca  Ca3  1  0.36  0.26  0.0  1.0
  Ca  Ca4  1  0.36  0.49  0.0  1.0
  Pt  Pt5  1  -0.0  0.87  0.0  1.0
  Pt  Pt6  1  0.36  0.87  0.49  1.0
  Pt  Pt7  1  0.36  0.87  0.51  1.0

Ca Ca Ca Ca Ca Pt Pt Pt
Ca5Pt3 crystallizes in the triclinic P1 space group. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a single-bond geometry to one Ca(2), one Ca(4), and one Pt(1) atom. The Ca(1)-Ca(2) bond length is 1.59 Å. The Ca(1)-Ca(4) bond length is 2.41 Å. The Ca(1)-Pt(1) bond length is 0.87 Å. In the second Ca site, Ca(2) is bonded in a 4-coordinate geometry to one Ca(1), one Pt(1), and two equivalent Pt(2) atoms. The Ca(2)-Pt(1) bond length is 1.88 Å. There is one shorter (2.28 Å) and one longer (3.39 Å) Ca(2)-Pt(2) bond length. In the third Ca site, Ca(3) is bonded in a 2-coordinate geometry to one Pt(1) and one Pt(3) atom. The Ca(3)-Pt(1) bond length is 1.59 Å. The Ca(3)-Pt(3) bond length is 2.48 Å. In the fourth Ca site, Ca(4) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(5), and one Pt(2) atom. The Ca(4)-Ca(5) bond length is 1.55 Å. The Ca(4)-Pt(2) bond length is 3.44 Å. In the fifth Ca site, Ca(5) is bonded in a 3-coordinate geometry to one Ca(4), one Pt(1), and one Pt(3) atom. The Ca(5)-Pt(1) bond length is 3.09 Å. The Ca(5)-Pt(3) bond length is 3.44 Å. There are three inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a distorted single-bond geometry to one Ca(1), one Ca(2), one Ca(3), and one Ca(5) atom. In the second Pt site, Pt(2) is bonded in a 2-coordinate geometry to one Ca(4), two equivalent Ca(2), and one Pt(3) atom. The Pt(2)-Pt(3) bond length is 0.11 Å. In the third Pt site, Pt(3) is bonded in a 2-coordinate geometry to one Ca(3), one Ca(5), and one Pt(2) atom.