data_Be2HgMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.2
_cell_length_b   5.2
_cell_length_c   5.2
_cell_angle_alpha   148.47
_cell_angle_beta   132.26
_cell_angle_gamma   58.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgMo
_chemical_formula_sum   'Be2 Hg1 Mo1'
_cell_volume   54.09
_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  0.11  0.34  1.0
  Be  Be1  1  0.0  0.0  0.95  1.0
  Hg  Hg2  1  0.0  0.11  0.17  1.0
  Mo  Mo3  1  0.0  0.0  0.17  1.0

data_Be2HgMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.21
_cell_length_c   5.2
_cell_angle_alpha   113.87
_cell_angle_beta   105.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgMo
_chemical_formula_sum   'Be2 Hg1 Mo1'
_cell_volume   54.09
_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  0.05  0.05  0.05  1.0
  Be  Be1  1  0.66  0.77  0.77  1.0
  Hg  Hg2  1  0.83  0.94  0.94  1.0
  Mo  Mo3  1  0.83  0.83  0.83  1.0

Be Be Hg Mo