data_[Tb2Pr1Sm1N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pr  1.1300  1.8500  1.0600
  Sm  1.1700  1.8500  1.2290
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1802]
_cell_length_b [3.5700]
_cell_length_c [6.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tb2PrSmN4]
_chemical_formula_sum '[Tb2 Pr1 Sm1 N4]'
_cell_volume [128.7080]
_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  0.5000  0.5000  1
  Tb  Tb1  1  0.5000  0.0000  0.5000  1
  Pr  Pr2  1  0.5000  0.5000  0.0000  1
  Sm  Sm3  1  0.0000  0.0000  0.0000  1
  N  N4  2  0.2440  0.0000  0.7401  1
  N  N5  2  0.2497  0.5000  0.2575  1
]