data_Ca2SbRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.16
_cell_angle_alpha   112.89
_cell_angle_beta   112.89
_cell_angle_gamma   45.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbRu
_chemical_formula_sum   'Ca2 Sb1 Ru1'
_cell_volume   97.35
_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  0.1  0.0  0.13  1.0
  Ca  Ca1  1  0.73  0.0  0.44  1.0
  Sb  Sb3  1  0.2  0.0  0.48  1.0
  Ru  Ru2  1  0.72  0.0  0.97  1.0

data_Ca2SbRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.15
_cell_length_b   5.16
_cell_length_c   5.42
_cell_angle_alpha   112.89
_cell_angle_beta   112.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbRu
_chemical_formula_sum   'Ca2 Sb1 Ru1'
_cell_volume   97.35
_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  0.13  0.1  1.0
  Ca  Ca1  1  0.0  0.44  0.73  1.0
  Sb  Sb2  1  0.0  0.48  0.2  1.0
  Ru  Ru3  1  0.0  0.97  0.72  1.0

Ca Ca Sb Ru