data_CaMg2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.5
_cell_length_b   3.5
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaMg2Pt
_chemical_formula_sum   'Ca1 Mg2 Pt1'
_cell_volume   90.3
_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  0.19  1.0
  Mg  Mg1  1  0.75  0.75  0.36  1.0
  Mg  Mg2  1  0.0  0.0  0.15  1.0
  Pt  Pt3  1  0.75  0.75  0.34  1.0

data_CaMg2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaMg2Pt
_chemical_formula_sum   'Ca2 Mg4 Pt2'
_cell_volume   180.6
_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  0.19  1.0
  Mg  Mg1  2  0.0  0.0  0.15  1.0
  Mg  Mg2  2  0.25  0.5  0.36  1.0
  Pt  Pt3  2  0.25  0.5  0.34  1.0

Ca Mg Mg Pt
Ca Mg Mg Pt 0 2 o o o 1 3 o o o 
CaMg2Pt crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CaMg2Pt clusters. Ca(1) is bonded in a 2-coordinate geometry to one Mg(2) and one Pt(1) atom. The Ca(1)-Mg(2) bond length is 0.30 Å. The Ca(1)-Pt(1) bond length is 1.66 Å. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Pt(1) atom. The Mg(1)-Pt(1) bond length is 0.14 Å. In the second Mg site, Mg(2) is bonded in a single-bond geometry to one Ca(1) atom. Pt(1) is bonded in a distorted single-bond geometry to one Ca(1) and one Mg(1) atom.