data_CaSb2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   3.73
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Ru
_chemical_formula_sum   'Ca1 Sb2 Ru1'
_cell_volume   93.84
_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  0.62  1.0
  Sb  Sb2  1  0.0  0.0  0.77  1.0
  Sb  Sb3  1  0.76  0.86  0.59  1.0
  Ru  Ru1  1  0.76  0.86  0.88  1.0

data_CaSb2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.73
_cell_length_c   7.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSb2Ru
_chemical_formula_sum   'Ca1 Sb2 Ru1'
_cell_volume   93.84
_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  0.62  1.0
  Sb  Sb1  1  0.0  0.0  0.77  1.0
  Sb  Sb2  1  0.76  0.86  0.59  1.0
  Ru  Ru3  1  0.76  0.86  0.88  1.0

Ca Sb Sb Ru