data_BeCrRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.63
_cell_length_b   2.63
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeCrRe2
_chemical_formula_sum   'Be1 Cr1 Re2'
_cell_volume   52.03
_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
  Be  Be0  1  0.0  0.0  0.93  1.0
  Cr  Cr1  1  0.51  0.0  0.14  1.0
  Re  Re2  1  0.0  0.0  0.11  1.0
  Re  Re3  1  0.51  0.0  0.83  1.0

data_BeCrRe2
_symmetry_space_group_name_H-M   P2
_cell_length_a   2.63
_cell_length_b   8.01
_cell_length_c   2.63
_cell_angle_alpha   90.0
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   BeCrRe2
_chemical_formula_sum   'Be1 Cr1 Re2'
_cell_volume   52.03
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Be  Be0  1  0.0  0.07  0.0  1.0
  Cr  Cr1  1  0.5  0.86  0.0  1.0
  Re  Re2  1  0.0  0.89  0.0  1.0
  Re  Re3  1  0.5  0.17  0.0  1.0

Be Cr Re Re
Be Cr Re Re 0 3 - o o 0 3 o o o 0 2 o o + 1 2 o o o 1 2 + o o 