data_Ba2ZrRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.17
_cell_length_b   9.17
_cell_length_c   4.43
_cell_angle_alpha   103.01
_cell_angle_beta   103.01
_cell_angle_gamma   21.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrRe
_chemical_formula_sum   'Ba2 Zr1 Re1'
_cell_volume   135.32
_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  0.13  0.0  0.82  1.0
  Ba  Ba1  1  0.86  0.0  0.49  1.0
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.5  0.0  0.15  1.0

data_Ba2ZrRe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   4.43
_cell_length_c   9.17
_cell_angle_alpha   103.01
_cell_angle_beta   100.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2ZrRe
_chemical_formula_sum   'Ba2 Zr1 Re1'
_cell_volume   135.32
_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  0.0  0.49  0.86  1.0
  Ba  Ba1  1  0.0  0.82  0.13  1.0
  Zr  Zr2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.0  0.15  0.5  1.0

Ba Ba Zr Re