data_CaAsRu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.52
_cell_length_b   5.52
_cell_length_c   5.52
_cell_angle_alpha   147.25
_cell_angle_beta   131.45
_cell_angle_gamma   59.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsRu2
_chemical_formula_sum   'Ca1 As1 Ru2'
_cell_volume   67.53
_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  Ca1  1  0.0  0.0  0.12  1.0
  As  As0  1  0.56  0.0  0.5  1.0
  Ru  Ru2  1  0.56  0.0  0.2  1.0
  Ru  Ru3  1  0.0  0.0  0.53  1.0

data_CaAsRu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   4.54
_cell_length_c   5.52
_cell_angle_alpha   114.27
_cell_angle_beta   106.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAsRu2
_chemical_formula_sum   'Ca1 As1 Ru2'
_cell_volume   67.53
_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  0.12  0.12  1.0
  As  As1  1  0.0  0.5  0.95  1.0
  Ru  Ru2  1  0.0  0.2  0.64  1.0
  Ru  Ru3  1  0.0  0.53  0.53  1.0

Ca As Ru Ru