data_BeHgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22
_cell_length_b   5.22
_cell_length_c   5.22
_cell_angle_alpha   143.91
_cell_angle_beta   131.35
_cell_angle_gamma   62.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgW2
_chemical_formula_sum   'Be1 Hg1 W2'
_cell_volume   62.17
_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  0.0  1.0
  Hg  Hg1  1  0.0  0.0  0.47  1.0
  W  W2  1  0.62  0.0  0.09  1.0
  W  W3  1  0.0  0.15  0.38  1.0

data_BeHgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.23
_cell_length_b   4.3
_cell_length_c   5.22
_cell_angle_alpha   114.32
_cell_angle_beta   108.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgW2
_chemical_formula_sum   'Be1 Hg1 W2'
_cell_volume   62.17
_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  0.0  1.0
  Hg  Hg1  1  0.53  0.53  0.53  1.0
  W  W2  1  0.52  0.91  0.52  1.0
  W  W3  1  0.62  0.77  0.77  1.0

Be Hg W W