data_Ta2ZnP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnP
_chemical_formula_sum   'Ta2 Zn1 P1'
_cell_volume   67.33
_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  Ta1  1  0.78  0.0  0.17  1.0
  Ta  Ta2  1  0.0  0.0  0.99  1.0
  Zn  Zn3  1  0.78  0.0  0.91  1.0
  P  P0  1  0.0  0.0  0.95  1.0

data_Ta2ZnP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   2.96
_cell_length_c   8.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   105.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnP
_chemical_formula_sum   'Ta2 Zn1 P1'
_cell_volume   67.33
_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  0.0  0.99  1.0
  Ta  Ta1  1  0.78  0.0  0.17  1.0
  Zn  Zn2  1  0.78  0.0  0.91  1.0
  P  P3  1  0.0  0.0  0.95  1.0

Ta Ta Zn P
Ta Ta Zn P 0 3 + o - 0 1 + o - 1 3 o o o 2 3 + o o 