data_Ba2YRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   121.29
_cell_angle_beta   121.29
_cell_angle_gamma   87.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YRe
_chemical_formula_sum   'Ba2 Y1 Re1'
_cell_volume   120.88
_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
  Ba  Ba0  1  0.74  0.0  0.01  1.0
  Ba  Ba1  1  0.0  0.0  0.03  1.0
  Y  Y3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.74  0.01  1.0

data_Ba2YRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   5.59
_cell_angle_alpha   119.35
_cell_angle_beta   119.35
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2YRe
_chemical_formula_sum   'Ba2 Y1 Re1'
_cell_volume   120.88
_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
  Ba  Ba0  1  0.97  0.0  0.97  1.0
  Ba  Ba1  1  0.99  0.0  0.73  1.0
  Y  Y2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.73  0.74  0.73  1.0

Ba Ba Y Re