data_CaInRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   5.56
_cell_angle_alpha   102.22
_cell_angle_beta   102.22
_cell_angle_gamma   36.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInRu2
_chemical_formula_sum   'Ca1 In1 Ru2'
_cell_volume   79.49
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.07  0.0  0.71  1.0
  Ru  Ru2  1  0.75  0.0  0.72  1.0
  Ru  Ru3  1  0.39  0.0  0.7  1.0

data_CaInRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.94
_cell_length_c   5.56
_cell_angle_alpha   102.22
_cell_angle_beta   90.0
_cell_angle_gamma   108.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInRu2
_chemical_formula_sum   'Ca1 In1 Ru2'
_cell_volume   79.49
_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  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.93  0.29  1.0
  Ru  Ru2  1  0.0  0.25  0.28  1.0
  Ru  Ru3  1  0.0  0.61  0.3  1.0

Ca In Ru Ru