data_[Tb1Nd1As1P1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Nd  1.1400  1.8500  1.2765
  As  2.1800  1.1500  0.6600
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.1603]
_cell_length_b [4.1603]
_cell_length_c [5.8654]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbNdAsP]
_chemical_formula_sum '[Tb1 Nd1 As1 P1]'
_cell_volume [101.5193]
_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  1  0.0000  0.0000  0.0000  1
  Nd  Nd1  1  0.5000  0.5000  0.5000  1
  As  As2  1  0.0000  0.0000  0.5000  1
  P  P3  1  0.5000  0.5000  0.0000  1
]