data_BaReNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   3.48
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReNi2
_chemical_formula_sum   'Ba1 Re1 Ni2'
_cell_volume   74.05
_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  0.0  0.0  1.0
  Re  Re3  1  0.77  0.0  0.63  1.0
  Ni  Ni1  1  0.31  0.74  0.43  1.0
  Ni  Ni2  1  0.17  0.74  0.83  1.0

data_BaReNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   3.48
_cell_length_c   7.27
_cell_angle_alpha   90.0
_cell_angle_beta   93.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReNi2
_chemical_formula_sum   'Ba1 Re1 Ni2'
_cell_volume   74.05
_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  0.0  0.0  1.0
  Re  Re1  1  0.77  0.0  0.63  1.0
  Ni  Ni2  1  0.17  0.74  0.83  1.0
  Ni  Ni3  1  0.31  0.74  0.43  1.0

Ba Re Ni Ni