data_SrC3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.85
_cell_length_b   3.43
_cell_length_c   4.09
_cell_angle_alpha   90.0
_cell_angle_beta   91.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrC3
_chemical_formula_sum   'Sr1 C3'
_cell_volume   53.95
_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
  Sr  Sr3  1  0.89  0.0  0.04  1.0
  C  C0  1  0.39  0.71  0.58  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.39  0.71  0.51  1.0

data_SrC3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.85
_cell_length_c   4.09
_cell_angle_alpha   91.06
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrC3
_chemical_formula_sum   'Sr1 C3'
_cell_volume   53.95
_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
  Sr  Sr0  1  0.0  0.11  0.96  1.0
  C  C1  1  0.0  0.0  0.0  1.0
  C  C2  1  0.29  0.61  0.49  1.0
  C  C3  1  0.29  0.61  0.42  1.0

Sr C C C
Sr C C C 0 2 + o o 1 3 o o o 