data_TaBeGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   2.82
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeGe2
_chemical_formula_sum   'Ta1 Be1 Ge2'
_cell_volume   62.23
_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
  Ta  Ta3  1  0.0  0.0  0.92  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.41  0.41  0.8  1.0
  Ge  Ge2  1  0.41  0.41  0.04  1.0

data_TaBeGe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.99
_cell_length_b   3.99
_cell_length_c   7.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBeGe2
_chemical_formula_sum   'Ta2 Be2 Ge4'
_cell_volume   124.46
_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
  Ta  Ta0  2  0.0  0.0  0.92  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Ge  Ge2  2  0.41  0.0  0.04  1.0
  Ge  Ge3  2  0.41  0.0  0.8  1.0

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