[CIF]
data_LiCa2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10045650
_cell_length_b   5.10045650
_cell_length_c   3.55212627
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Ru
_chemical_formula_sum   'Li1 Ca2 Ru1'
_cell_volume   92.40734479
_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  2.55022825  0.00000000  1.77606314  1
  Ca  Ca1  1  0.00000000  2.55022825  1.77606314  1
  Li  Li2  1  0.00000000  0.00000000  0.00000000  1
  Ru  Ru3  1  2.55022825  2.55022825  0.00000000  1
[/CIF]
