[CIF]
data_CaPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.93408157
_cell_length_b   5.93408157
_cell_length_c   7.28833272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaPt2
_chemical_formula_sum   'Ca4 Pt8'
_cell_volume   222.26232163
_cell_formula_units_Z   4
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  4.41286178  0.87827666  0.12249151  1
  Ca  Ca1  1  0.00000000  0.00000000  4.46828496  1
  Ca  Ca2  1  2.96704082  3.38251203  0.12249151  1
  Ca  Ca3  1  1.52121985  0.87827666  0.12249151  1
  Pt  Pt4  1  -1.37737884  4.22127364  2.32990972  1
  Pt  Pt5  1  0.00000003  3.42604358  7.15841615  1
  Pt  Pt6  1  1.47443546  2.57477788  4.93962953  1
  Pt  Pt7  1  2.96704082  1.71302178  2.63887016  1
  Pt  Pt8  1  -1.47443540  2.57477788  4.93962953  1
  Pt  Pt9  1  0.00000003  1.83558345  2.32990972  1
  Pt  Pt10  1  0.00000003  5.12857497  4.93962953  1
  Pt  Pt11  1  1.37737890  4.22127364  2.32990972  1
[/CIF]
