data_BeGaHg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.56
_cell_angle_alpha   133.25
_cell_angle_beta   128.73
_cell_angle_gamma   71.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg
_chemical_formula_sum   'Be1 Ga1 Hg1'
_cell_volume   52.55
_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  0.34  1.0
  Ga  Ga1  1  0.0  0.0  0.0  1.0
  Hg  Hg2  1  0.0  0.0  0.41  1.0

data_BeGaHg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.61
_cell_length_b   3.94
_cell_length_c   4.56
_cell_angle_alpha   115.64
_cell_angle_beta   113.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeGaHg
_chemical_formula_sum   'Be1 Ga1 Hg1'
_cell_volume   52.55
_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  0.66  0.66  0.66  1.0
  Ga  Ga1  1  1.0  1.0  1.0  1.0
  Hg  Hg2  1  0.59  0.59  0.59  1.0

Be Ga Hg
Be Ga Hg 0 2 o o o 0 1 o o o 1 2 o o o 