data_YBeNb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.97
_cell_length_b   4.4
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   101.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeNb2
_chemical_formula_sum   'Y1 Be1 Nb2'
_cell_volume   76.35
_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  0.9  0.2  0.98  1.0
  Be  Be0  1  0.59  0.0  0.64  1.0
  Nb  Nb1  1  0.78  0.2  0.83  1.0
  Nb  Nb2  1  0.12  0.0  0.16  1.0

data_YBeNb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.4
_cell_length_c   5.97
_cell_angle_alpha   90.0
_cell_angle_beta   101.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBeNb2
_chemical_formula_sum   'Y1 Be1 Nb2'
_cell_volume   76.35
_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  0.9  0.2  0.98  1.0
  Be  Be1  1  0.59  0.0  0.64  1.0
  Nb  Nb2  1  0.12  0.0  0.16  1.0
  Nb  Nb3  1  0.78  0.2  0.83  1.0

Y Be Nb Nb