data_Sr2BeRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.37
_cell_length_b   5.37
_cell_length_c   5.37
_cell_angle_alpha   124.71
_cell_angle_beta   124.71
_cell_angle_gamma   82.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2BeRe
_chemical_formula_sum   'Sr2 Be1 Re1'
_cell_volume   100.71
_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  0.49  0.03  1.0
  Sr  Sr3  1  0.49  0.0  0.03  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.05  1.0

data_Sr2BeRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.05
_cell_length_b   7.05
_cell_length_c   5.37
_cell_angle_alpha   90.0
_cell_angle_beta   131.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2BeRe
_chemical_formula_sum   'Sr4 Be2 Re2'
_cell_volume   201.43
_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  0.22  0.25  0.47  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.45  0.5  0.95  1.0

Sr Sr Be Re
Sr Sr Be Re 0 3 o + o 0 3 o o o 0 2 o + o 0 2 o o o 1 3 o o o 1 3 + o o 1 2 o o o 1 2 + o o 2 3 o o o 