data_BeNbHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   150.94
_cell_angle_beta   150.94
_cell_angle_gamma   41.57
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeNbHg
_chemical_formula_sum   'Be1 Nb1 Hg1'
_cell_volume   47.44
_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  0.0  0.96  1.0
  Nb  Nb2  1  0.0  0.0  0.1  1.0
  Hg  Hg1  1  0.0  0.0  0.87  1.0

data_BeNbHg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.16
_cell_length_b   4.16
_cell_length_c   5.86
_cell_angle_alpha   90.0
_cell_angle_beta   110.78
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BeNbHg
_chemical_formula_sum   'Be2 Nb2 Hg2'
_cell_volume   94.89
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.04  1.0
  Nb  Nb1  2  0.0  0.0  0.9  1.0
  Hg  Hg2  2  0.0  0.0  0.13  1.0

Be Nb Hg