data_SrCu2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   152.06
_cell_angle_beta   128.85
_cell_angle_gamma   59.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Re
_chemical_formula_sum   'Sr1 Cu2 Re1'
_cell_volume   70.31
_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  0.0  0.0  0.6  1.0
  Cu  Cu0  1  0.4  0.0  0.33  1.0
  Cu  Cu1  1  0.0  0.0  0.46  1.0
  Re  Re2  1  0.4  0.0  0.71  1.0

data_SrCu2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   5.0
_cell_length_c   5.79
_cell_angle_alpha   115.57
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCu2Re
_chemical_formula_sum   'Sr1 Cu2 Re1'
_cell_volume   70.31
_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  0.4  0.4  0.4  1.0
  Cu  Cu1  1  0.07  0.67  0.07  1.0
  Cu  Cu2  1  0.54  0.54  0.54  1.0
  Re  Re3  1  0.69  0.29  0.69  1.0

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