data_Sr2CrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.25
_cell_length_b   6.25
_cell_length_c   5.62
_cell_angle_alpha   115.06
_cell_angle_beta   115.06
_cell_angle_gamma   32.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrRe
_chemical_formula_sum   'Sr2 Cr1 Re1'
_cell_volume   106.81
_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  0.21  0.0  0.16  1.0
  Sr  Sr3  1  0.92  0.0  0.6  1.0
  Cr  Cr0  1  0.15  0.0  0.29  1.0
  Re  Re1  1  0.99  0.0  0.51  1.0

data_Sr2CrRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   5.62
_cell_length_c   6.25
_cell_angle_alpha   115.06
_cell_angle_beta   106.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CrRe
_chemical_formula_sum   'Sr2 Cr1 Re1'
_cell_volume   106.81
_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  0.16  0.21  1.0
  Sr  Sr1  1  0.0  0.6  0.92  1.0
  Cr  Cr2  1  0.0  0.29  0.15  1.0
  Re  Re3  1  0.0  0.51  0.99  1.0

Sr Sr Cr Re
Sr Sr Cr Re 0 2 o o o 1 3 o o o 