data_Be2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86
_cell_length_b   4.97
_cell_length_c   4.97
_cell_angle_alpha   33.89
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgMo
_chemical_formula_sum   'Be2 Hg1 Mo1'
_cell_volume   53.2
_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  0.93  0.0  0.64  1.0
  Be  Be1  1  0.0  0.0  0.96  1.0
  Hg  Hg2  1  0.93  0.0  0.1  1.0
  Mo  Mo3  1  0.0  0.0  0.09  1.0

data_Be2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   3.86
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgMo
_chemical_formula_sum   'Be2 Hg1 Mo1'
_cell_volume   53.2
_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  0.04  0.0  0.04  1.0
  Be  Be1  1  0.36  0.93  0.36  1.0
  Hg  Hg2  1  0.9  0.93  0.9  1.0
  Mo  Mo3  1  0.91  0.0  0.91  1.0

Be Be Hg Mo