data_YNb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.02
_cell_angle_alpha   105.28
_cell_angle_beta   105.28
_cell_angle_gamma   37.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Br
_chemical_formula_sum   'Y1 Nb2 Br1'
_cell_volume   91.48
_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  0.04  0.0  0.68  1.0
  Nb  Nb1  1  0.06  0.0  0.35  1.0
  Nb  Nb2  1  0.2  0.0  0.04  1.0
  Br  Br0  1  0.68  0.0  0.38  1.0

data_YNb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.1
_cell_length_c   6.02
_cell_angle_alpha   105.28
_cell_angle_beta   90.0
_cell_angle_gamma   108.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNb2Br
_chemical_formula_sum   'Y1 Nb2 Br1'
_cell_volume   91.48
_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  0.0  0.96  0.32  1.0
  Nb  Nb1  1  0.0  0.8  0.96  1.0
  Nb  Nb2  1  0.0  0.94  0.65  1.0
  Br  Br3  1  0.0  0.32  0.62  1.0

Y Nb Nb Br