data_TaCrGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.64
_cell_angle_alpha   99.42
_cell_angle_beta   99.42
_cell_angle_gamma   39.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrGe2
_chemical_formula_sum   'Ta1 Cr1 Ge2'
_cell_volume   61.72
_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  0.91  0.0  0.29  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Ge  Ge1  1  0.61  0.0  0.55  1.0
  Ge  Ge2  1  0.22  0.0  0.02  1.0

data_TaCrGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.59
_cell_length_c   4.64
_cell_angle_alpha   99.42
_cell_angle_beta   90.0
_cell_angle_gamma   109.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaCrGe2
_chemical_formula_sum   'Ta1 Cr1 Ge2'
_cell_volume   61.72
_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  0.09  0.71  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.39  0.45  1.0
  Ge  Ge3  1  0.0  0.78  0.98  1.0

Ta Cr Ge Ge