data_[Tb4Ni2P2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.6671]
_cell_length_b [3.9189]
_cell_length_c [7.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7066]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Tb2NiP]
_chemical_formula_sum '[Tb4 Ni2 P2]'
_cell_volume [164.7368]
_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  2  0.2171  0.7500  0.9116  1.0
  Tb  Tb1  2  0.2250  0.7500  0.4452  1.0
  Ni  Ni2  2  0.3896  0.2500  0.7232  1.0
  P  P3  2  0.3439  0.2500  0.2064  1.0
]