[CIF]
data_Ca2AlRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14647048
_cell_length_b   5.14647048
_cell_length_c   5.14647048
_cell_angle_alpha   123.97873469
_cell_angle_beta   123.97873469
_cell_angle_gamma   83.23656027
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2AlRu
_chemical_formula_sum   'Ca2 Al1 Ru1'
_cell_volume   89.90242487
_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
  Al  Al0  1  0.00000000  0.00000000  0.00000000  1
  Ca  Ca1  1  0.00000000  2.41696476  1.92371523  1
  Ca  Ca2  1  2.41696476  0.00000000  1.92371523  1
  Ru  Ru3  1  0.00000000  0.00000000  3.84743045  1
[/CIF]
