data_Tb2NiAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   14.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2NiAs2
_chemical_formula_sum   'Tb4 Ni2 As4'
_cell_volume   210.2
_cell_formula_units_Z   2
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
  Tb  Tb0  1  0.0  0.38  0.68  1.0
  Tb  Tb1  1  0.07  0.19  0.79  1.0
  Tb  Tb2  1  0.0  0.38  0.13  1.0
  Tb  Tb3  1  0.07  0.19  0.01  1.0
  Ni  Ni4  1  0.0  0.0  0.08  1.0
  Ni  Ni5  1  0.0  0.0  0.19  1.0
  As  As6  1  0.0  0.38  0.87  1.0
  As  As7  1  0.07  0.19  0.98  1.0
  As  As8  1  0.0  0.0  0.32  1.0
  As  As9  1  0.0  0.0  0.43  1.0

data_Tb2NiAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.13
_cell_length_c   14.23
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb2NiAs2
_chemical_formula_sum   'Tb4 Ni2 As4'
_cell_volume   210.2
_cell_formula_units_Z   2
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
  Tb  Tb0  1  -0.0  0.38  0.13  1.0
  Tb  Tb1  1  -0.0  0.38  0.68  1.0
  Tb  Tb2  1  0.07  0.19  0.01  1.0
  Tb  Tb3  1  0.07  0.19  0.79  1.0
  Ni  Ni4  1  0.0  0.0  0.08  1.0
  Ni  Ni5  1  0.0  0.0  0.19  1.0
  As  As6  1  -0.0  0.38  0.87  1.0
  As  As7  1  0.0  0.0  0.32  1.0
  As  As8  1  0.0  0.0  0.43  1.0
  As  As9  1  0.07  0.19  0.98  1.0

Tb Tb Tb Tb Ni Ni As As As As