[CIF]
data_Ca2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.27588970
_cell_length_b   3.27588970
_cell_length_c   8.47335426
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2CrAu
_chemical_formula_sum   'Ca2 Cr1 Au1'
_cell_volume   90.93140576
_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
  Au  Au0  1  0.00000000  0.00000000  4.23667713  1
  Ca  Ca1  1  1.63794485  1.63794485  6.34220653  1
  Ca  Ca2  1  1.63794485  1.63794485  2.13114773  1
  Cr  Cr3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
