data_TaIn2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Ge
_chemical_formula_sum   'Ta1 In2 Ge1'
_cell_volume   86.6
_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  0.9  0.0  0.61  1.0
  In  In1  1  0.9  0.0  0.11  1.0
  In  In2  1  0.0  0.0  0.89  1.0
  Ge  Ge0  1  0.0  0.0  0.69  1.0

data_TaIn2Ge
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   3.05
_cell_length_c   9.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaIn2Ge
_chemical_formula_sum   'Ta1 In2 Ge1'
_cell_volume   86.6
_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  0.9  0.0  0.61  1.0
  In  In1  1  0.0  0.0  0.89  1.0
  In  In2  1  0.9  0.0  0.11  1.0
  Ge  Ge3  1  0.0  0.0  0.69  1.0

Ta In In Ge