data_BeNb2Hg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   4.82
_cell_angle_alpha   115.54
_cell_angle_beta   115.54
_cell_angle_gamma   31.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Hg
_chemical_formula_sum   'Be1 Nb2 Hg1'
_cell_volume   66.13
_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  0.06  0.0  0.18  1.0
  Nb  Nb2  1  0.01  0.0  0.01  1.0
  Nb  Nb3  1  0.75  0.0  0.08  1.0
  Hg  Hg1  1  0.59  0.0  0.2  1.0

data_BeNb2Hg
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   4.82
_cell_length_c   5.42
_cell_angle_alpha   115.54
_cell_angle_beta   105.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNb2Hg
_chemical_formula_sum   'Be1 Nb2 Hg1'
_cell_volume   66.13
_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  0.0  0.18  0.06  1.0
  Nb  Nb1  1  0.0  0.01  0.01  1.0
  Nb  Nb2  1  0.0  0.08  0.75  1.0
  Hg  Hg3  1  0.0  0.2  0.59  1.0

Be Nb Nb Hg