data_BeHgP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.46
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgP2
_chemical_formula_sum   'Be1 Hg1 P2'
_cell_volume   69.52
_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  0.67  0.73  0.0  1.0
  P  P2  1  0.67  0.0  0.02  1.0
  P  P3  1  0.0  0.73  0.02  1.0

data_BeHgP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   3.46
_cell_length_c   6.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeHgP2
_chemical_formula_sum   'Be1 Hg1 P2'
_cell_volume   69.52
_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  0.67  0.73  -0.0  1.0
  P  P2  1  0.0  0.73  0.02  1.0
  P  P3  1  0.67  0.0  0.02  1.0

Be Hg P P
Be Hg P P 0 2 - o o 0 3 o - o 1 3 + o o 1 2 o + o 