data_Ta2CoGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   5.32
_cell_length_c   5.32
_cell_angle_alpha   35.78
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoGe
_chemical_formula_sum   'Ta2 Co1 Ge1'
_cell_volume   61.93
_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  0.0  0.0  0.29  1.0
  Ta  Ta3  1  0.87  0.0  0.98  1.0
  Co  Co0  1  0.0  0.0  0.79  1.0
  Ge  Ge1  1  0.87  0.0  0.26  1.0

data_Ta2CoGe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   3.74
_cell_length_c   5.32
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoGe
_chemical_formula_sum   'Ta2 Co1 Ge1'
_cell_volume   61.93
_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  0.02  0.87  0.02  1.0
  Ta  Ta1  1  0.71  0.0  0.71  1.0
  Co  Co2  1  0.21  0.0  0.21  1.0
  Ge  Ge3  1  0.74  0.87  0.74  1.0

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