data_Y3Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.03
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   116.95
_cell_angle_beta   116.95
_cell_angle_gamma   116.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Re
_chemical_formula_sum   'Y3 Re1'
_cell_volume   97.39
_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  Y1  1  0.43  0.52  0.06  1.0
  Y  Y2  1  0.57  0.52  0.06  1.0
  Y  Y3  1  0.0  0.97  0.06  1.0
  Re  Re0  1  0.0  0.0  0.0  1.0

data_Y3Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   6.03
_cell_length_c   6.03
_cell_angle_alpha   116.95
_cell_angle_beta   100.17
_cell_angle_gamma   100.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Y3Re
_chemical_formula_sum   'Y3 Re1'
_cell_volume   97.39
_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  0.06  0.06  0.1  1.0
  Y  Y1  1  0.06  0.49  0.55  1.0
  Y  Y2  1  0.06  0.63  0.55  1.0
  Re  Re3  1  0.0  0.0  0.0  1.0

Y Y Y Re