data_BeNb2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   4.8
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Pb
_chemical_formula_sum   'Be1 Nb2 Pb1'
_cell_volume   78.5
_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
  Be  Be0  1  0.01  0.0  0.16  1.0
  Nb  Nb1  1  0.97  0.4  0.54  1.0
  Nb  Nb2  1  0.97  0.0  0.38  1.0
  Pb  Pb3  1  0.98  0.4  0.77  1.0

data_BeNb2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   4.8
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Pb
_chemical_formula_sum   'Be1 Nb2 Pb1'
_cell_volume   78.5
_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
  Be  Be0  1  0.01  0.0  0.16  1.0
  Nb  Nb1  1  0.97  0.0  0.38  1.0
  Nb  Nb2  1  0.97  0.4  0.54  1.0
  Pb  Pb3  1  0.98  0.4  0.77  1.0

Be Nb Nb Pb