data_Ta2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.08
_cell_length_b   4.74
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeP
_chemical_formula_sum   'Ta2 Ge1 P1'
_cell_volume   68.79
_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  0.05  0.37  0.42  1.0
  Ta  Ta3  1  0.18  0.0  0.24  1.0
  Ge  Ge0  1  0.62  0.37  0.21  1.0
  P  P1  1  0.24  0.0  0.91  1.0

data_Ta2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.08
_cell_length_b   4.74
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2GeP
_chemical_formula_sum   'Ta2 Ge1 P1'
_cell_volume   68.79
_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  0.05  0.37  0.42  1.0
  Ta  Ta1  1  0.18  0.0  0.24  1.0
  Ge  Ge2  1  0.62  0.37  0.21  1.0
  P  P3  1  0.24  0.0  0.91  1.0

Ta Ta Ge P
Ta Ta Ge P 0 2 - o o 1 3 o o - 