data_Be2HgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.29
_cell_length_b   6.29
_cell_length_c   6.29
_cell_angle_alpha   31.76
_cell_angle_beta   31.76
_cell_angle_gamma   31.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgP
_chemical_formula_sum   'Be2 Hg1 P1'
_cell_volume   61.22
_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  0.89  1.0
  Be  Be1  1  0.0  0.0  0.01  1.0
  Hg  Hg2  1  0.0  0.0  0.95  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Be2HgP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.96
_cell_length_b   3.44
_cell_length_c   6.29
_cell_angle_alpha   90.0
_cell_angle_beta   108.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Be2HgP
_chemical_formula_sum   'Be4 Hg2 P2'
_cell_volume   122.45
_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  0.11  1.0
  Be  Be1  2  -0.0  0.0  0.99  1.0
  Hg  Hg2  2  -0.0  0.0  0.05  1.0
  P  P3  2  -0.0  0.0  0.0  1.0

Be Be Hg P