data_YAlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlRe2
_chemical_formula_sum   'Y1 Al1 Re2'
_cell_volume   68.21
_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
  Y  Y3  1  0.0  0.0  0.46  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.65  0.0  1.0  1.0
  Re  Re2  1  0.65  0.0  0.93  1.0

data_YAlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   2.84
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAlRe2
_chemical_formula_sum   'Y1 Al1 Re2'
_cell_volume   68.21
_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
  Y  Y0  1  0.0  0.0  0.46  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.65  0.0  0.93  1.0
  Re  Re3  1  0.65  0.0  1.0  1.0

Y Al Re Re
Y Al Re Re 0 0 + + o 0 0 o + o 0 0 + o o 1 3 - o - 1 2 - o - 2 3 o o o 