data_[Tb3Te2P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1975]
_cell_length_b [4.1975]
_cell_length_c [10.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Tb3Te2P]
_chemical_formula_sum '[Tb3 Te2 P1]'
_cell_volume [164.0852]
_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
[
  Tb  Tb0  2  0.3333  0.6667  0.8663  1
  Tb  Tb1  1  0.0000  0.0000  0.5000  1
  Te  Te2  2  0.3333  0.6667  0.3235  1
  P  P3  1  0.0000  0.0000  0.0000  1
]