data_YNiBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.83
_cell_length_b   3.91
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiBr2
_chemical_formula_sum   'Y1 Ni1 Br2'
_cell_volume   99.94
_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  0.84  0.95  0.47  1.0
  Ni  Ni2  1  0.74  0.0  0.78  1.0
  Br  Br0  1  0.03  0.0  0.17  1.0
  Br  Br1  1  0.8  0.95  0.29  1.0

data_YNiBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   3.91
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   103.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiBr2
_chemical_formula_sum   'Y1 Ni1 Br2'
_cell_volume   99.94
_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  0.84  0.95  0.47  1.0
  Ni  Ni1  1  0.74  0.0  0.78  1.0
  Br  Br2  1  0.03  0.0  0.17  1.0
  Br  Br3  1  0.8  0.95  0.29  1.0

Y Ni Br Br