data_Sr2YRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   5.31
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YRe
_chemical_formula_sum   'Sr2 Y1 Re1'
_cell_volume   114.7
_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  Sr1  1  0.8  0.66  0.75  1.0
  Sr  Sr2  1  0.59  0.66  0.78  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re0  1  0.54  0.0  0.27  1.0

data_Sr2YRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.31
_cell_length_b   5.31
_cell_length_c   6.6
_cell_angle_alpha   90.0
_cell_angle_beta   97.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2YRe
_chemical_formula_sum   'Sr2 Y1 Re1'
_cell_volume   114.7
_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  0.59  0.66  0.78  1.0
  Sr  Sr1  1  0.8  0.66  0.75  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.54  0.0  0.27  1.0

Sr Sr Y Re
Sr Sr Y Re 0 1 o o o 0 2 + + + 1 2 + + + 2 3 - o o 2 3 o o o 