[CIF]
data_CaZr2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85132126
_cell_length_b   9.85132126
_cell_length_c   9.85132126
_cell_angle_alpha   20.09012520
_cell_angle_beta   20.09012520
_cell_angle_gamma   20.09012520
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZr2Ru
_chemical_formula_sum   'Ca1 Zr2 Ru1'
_cell_volume   98.69333733
_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  0.00000000  0.00000000  0.00000000  1
  Ru  Ru1  1  -0.00000000  -0.00000000  14.47416989  1
  Zr  Zr2  1  0.00000000  -0.00000000  22.33249287  1
  Zr  Zr3  1  0.00000000  -0.00000000  6.61584692  1
[/CIF]
