data_Ta2GeSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.49
_cell_length_b   4.49
_cell_length_c   5.65
_cell_angle_alpha   102.96
_cell_angle_beta   102.96
_cell_angle_gamma   39.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeSe
_chemical_formula_sum   'Ta2 Ge1 Se1'
_cell_volume   70.62
_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  Ta2  1  0.02  0.0  0.4  1.0
  Ta  Ta3  1  0.08  0.0  0.09  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Se  Se1  1  0.55  0.0  0.75  1.0

data_Ta2GeSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.49
_cell_length_c   5.65
_cell_angle_alpha   102.96
_cell_angle_beta   90.0
_cell_angle_gamma   109.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeSe
_chemical_formula_sum   'Ta2 Ge1 Se1'
_cell_volume   70.62
_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  Ta0  1  0.0  0.92  0.91  1.0
  Ta  Ta1  1  0.0  0.98  0.6  1.0
  Ge  Ge2  1  0.0  0.0  0.0  1.0
  Se  Se3  1  0.0  0.45  0.25  1.0

Ta Ta Ge Se