data_Sr5Y
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.13
_cell_length_b   7.13
_cell_length_c   6.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Y
_chemical_formula_sum   'Sr5 Y1'
_cell_volume   296.43
_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  0.84  0.0  0.37  1.0
  Sr  Sr1  1  0.15  0.98  0.37  1.0
  Sr  Sr2  1  0.58  0.19  0.37  1.0
  Sr  Sr3  1  0.56  0.06  0.0  1.0
  Sr  Sr4  1  0.0  0.12  0.0  1.0
  Y  Y5  1  0.0  0.0  0.0  1.0

data_Sr5Y
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.74
_cell_length_b   7.13
_cell_length_c   7.13
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr5Y
_chemical_formula_sum   'Sr5 Y1'
_cell_volume   296.43
_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  -0.0  0.12  1.0
  Sr  Sr1  1  -0.0  0.56  0.06  1.0
  Sr  Sr2  1  0.37  0.15  0.98  1.0
  Sr  Sr3  1  0.37  0.58  0.19  1.0
  Sr  Sr4  1  0.37  0.84  0.0  1.0
  Y  Y5  1  0.0  0.0  0.0  1.0

Sr Sr Sr Sr Sr Y
Sr Sr Sr Sr Sr Y 0 2 o o o 0 1 + - o 0 5 + o o 0 4 + o o 0 3 o o o 1 5 o + o 1 2 o + o 2 3 o o o 3 4 + o o 4 5 o o o 