data_BeTc2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.69
_cell_length_b   4.69
_cell_length_c   4.69
_cell_angle_alpha   140.49
_cell_angle_beta   124.81
_cell_angle_gamma   69.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Ge
_chemical_formula_sum   'Be1 Tc2 Ge1'
_cell_volume   52.83
_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
  Tc  Tc2  1  0.58  0.0  0.59  1.0
  Tc  Tc3  1  0.0  0.17  0.25  1.0
  Ge  Ge1  1  0.0  0.0  0.84  1.0

data_BeTc2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.34
_cell_length_c   4.69
_cell_angle_alpha   117.6
_cell_angle_beta   109.76
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2Ge
_chemical_formula_sum   'Be1 Tc2 Ge1'
_cell_volume   52.83
_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
  Tc  Tc1  1  0.75  0.92  0.92  1.0
  Tc  Tc2  1  1.0  0.41  1.0  1.0
  Ge  Ge3  1  0.16  0.16  0.16  1.0

Be Tc Tc Ge
Be Tc Tc Ge 0 2 o o o 0 3 o o - 0 1 - o - 1 3 + o o 