data_[Pr2Zr2Mn2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2475]
_cell_length_b [3.2849]
_cell_length_c [7.2647]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.7237]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PrZrMnN3]
_chemical_formula_sum '[Pr2 Zr2 Mn2 N6]'
_cell_volume [168.0134]
_cell_formula_units_Z [2]
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  2  0.2085  0.2500  0.1906  1.0
  Zr  Zr1  2  0.1583  0.2500  0.6497  1.0
  Mn  Mn2  2  0.4055  0.7500  0.9185  1.0
  N  N3  2  0.1439  0.7500  0.8742  1.0
  N  N4  2  0.1539  0.7500  0.4380  1.0
  N  N5  2  0.4967  0.2500  0.8167  1.0
]