data_Be2HgTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   6.24
_cell_angle_alpha   107.0
_cell_angle_beta   107.0
_cell_angle_gamma   58.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgTe
_chemical_formula_sum   'Be2 Hg1 Te1'
_cell_volume   71.73
_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  0.08  0.0  0.36  1.0
  Be  Be1  1  0.39  0.0  0.52  1.0
  Hg  Hg2  1  0.24  0.0  0.94  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

data_Be2HgTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.77
_cell_length_c   6.24
_cell_angle_alpha   107.0
_cell_angle_beta   90.0
_cell_angle_gamma   119.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2HgTe
_chemical_formula_sum   'Be2 Hg1 Te1'
_cell_volume   71.73
_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  0.61  0.48  1.0
  Be  Be1  1  0.0  0.92  0.64  1.0
  Hg  Hg2  1  0.0  0.76  0.06  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

Be Be Hg Te