data_Be2TePb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   4.29
_cell_angle_alpha   99.81
_cell_angle_beta   99.81
_cell_angle_gamma   35.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TePb
_chemical_formula_sum   'Be2 Te1 Pb1'
_cell_volume   96.24
_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  0.33  0.0  0.77  1.0
  Be  Be1  1  0.42  0.0  0.07  1.0
  Te  Te3  1  0.79  0.0  0.35  1.0
  Pb  Pb2  1  0.6  0.0  0.36  1.0

data_Be2TePb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.79
_cell_length_b   4.29
_cell_length_c   6.3
_cell_angle_alpha   99.81
_cell_angle_beta   107.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Be2TePb
_chemical_formula_sum   'Be2 Te1 Pb1'
_cell_volume   96.24
_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  0.07  0.42  1.0
  Be  Be1  1  0.0  0.77  0.33  1.0
  Te  Te2  1  0.0  0.35  0.79  1.0
  Pb  Pb3  1  0.0  0.36  0.6  1.0

Be Be Te Pb