data_[Sr4Pr2Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.7940]
_cell_length_b [7.1228]
_cell_length_c [5.6043]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sr2PrMoN4]
_chemical_formula_sum '[Sr4 Pr2 Mo2 N8]'
_cell_volume [311.1239]
_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
[
  Sr  Sr0  4  0.2494  0.3423  0.4644  1
  Pr  Pr1  2  0.0000  0.8527  0.4727  1
  Mo  Mo2  2  0.0000  0.1598  0.0022  1
  N  N3  4  0.2077  0.2874  0.9239  1
  N  N4  2  0.0000  0.1569  0.3354  1
  N  N5  2  0.0000  0.8986  0.9130  1
]