data_SrCrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.34
_cell_length_b   6.34
_cell_length_c   6.34
_cell_angle_alpha   149.99
_cell_angle_beta   149.99
_cell_angle_gamma   42.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCrRe
_chemical_formula_sum   'Sr1 Cr1 Re1'
_cell_volume   63.42
_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  0.0  0.0  0.87  1.0
  Cr  Cr0  1  0.0  0.0  0.17  1.0
  Re  Re1  1  0.0  0.0  0.54  1.0

data_SrCrRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.34
_cell_angle_alpha   90.0
_cell_angle_beta   111.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCrRe
_chemical_formula_sum   'Sr2 Cr2 Re2'
_cell_volume   126.84
_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  2  0.0  0.0  0.13  1.0
  Cr  Cr1  2  0.0  0.0  0.83  1.0
  Re  Re2  2  0.0  0.0  0.46  1.0

Sr Cr Re
Sr Cr Re 0 2 o o o 0 1 o o + 1 2 o o o 