data_Sr2CuRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CuRe
_chemical_formula_sum   'Sr2 Cu1 Re1'
_cell_volume   98.24
_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  Sr2  1  0.83  0.0  0.53  1.0
  Sr  Sr3  1  0.0  0.83  0.53  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.83  0.83  0.0  1.0

data_Sr2CuRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.01
_cell_length_b   8.01
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2CuRe
_chemical_formula_sum   'Sr4 Cu2 Re2'
_cell_volume   196.48
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.42  0.42  0.53  1.0
  Cu  Cu1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.33  0.5  0.0  1.0

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