data_CaZnRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   5.46
_cell_angle_alpha   148.16
_cell_angle_beta   128.2
_cell_angle_gamma   62.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnRu2
_chemical_formula_sum   'Ca1 Zn1 Ru2'
_cell_volume   66.94
_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
  Zn  Zn3  1  0.0  0.0  0.68  1.0
  Ru  Ru1  1  0.0  0.39  0.09  1.0
  Ru  Ru2  1  0.5  0.0  0.59  1.0

data_CaZnRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.77
_cell_length_c   5.46
_cell_angle_alpha   115.9
_cell_angle_beta   105.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaZnRu2
_chemical_formula_sum   'Ca1 Zn1 Ru2'
_cell_volume   66.94
_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
  Zn  Zn1  1  0.32  0.32  0.32  1.0
  Ru  Ru2  1  0.91  0.41  0.91  1.0
  Ru  Ru3  1  0.91  0.3  0.3  1.0

Ca Zn Ru Ru