data_[Pr3Mg3Ta12N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Ta  1.5000  1.4500  0.8200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [6.3589]
_cell_length_b [6.3589]
_cell_length_c [15.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PrMg(TaN2)4]
_chemical_formula_sum '[Pr3 Mg3 Ta12 N24]'
_cell_volume [555.6174]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3770  1
  Mg  Mg1  3  0.0000  0.0000  0.9984  1
  Ta  Ta2  9  0.1732  0.3463  0.8310  1
  Ta  Ta3  3  0.0000  0.0000  0.6235  1
  N  N4  9  0.0492  0.5246  0.7617  1
  N  N5  9  0.1679  0.3358  0.5786  1
  N  N6  3  0.0000  0.0000  0.2329  1
  N  N7  3  0.0000  0.0000  0.7546  1
]