data_[Pr8Ta4Mn4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2968]
_cell_length_b [14.3187]
_cell_length_c [10.2351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr2TaMnN5]
_chemical_formula_sum '[Pr8 Ta4 Mn4 N20]'
_cell_volume [483.1588]
_cell_formula_units_Z [4]
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
[
  Pr  Pr0  4  0.0000  0.1197  0.6909  1.0
  Pr  Pr1  4  0.0000  0.1293  0.3234  1.0
  Ta  Ta2  4  0.0000  0.2050  0.0225  1.0
  Mn  Mn3  4  0.0000  0.4505  0.4432  1.0
  N  N4  4  0.0000  0.0369  0.0144  1.0
  N  N5  4  0.0000  0.3002  0.6548  1.0
  N  N6  4  0.0000  0.3220  0.3823  1.0
  N  N7  4  0.0000  0.3387  0.0061  1.0
  N  N8  4  0.0000  0.4989  0.2864  1.0
]