data_[K2Mg4Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  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 [7.4721]
_cell_length_b [5.8276]
_cell_length_c [5.6900]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KMg2MoN4]
_chemical_formula_sum '[K2 Mg4 Mo2 N8]'
_cell_volume [247.7675]
_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
[
  K  K0  2  0.0000  0.8177  0.4923  1
  Mg  Mg1  4  0.2449  0.6722  0.9973  1
  Mo  Mo2  2  0.0000  0.1997  0.0047  1
  N  N3  4  0.1913  0.3458  0.8551  1
  N  N4  2  0.0000  0.2640  0.3272  1
  N  N5  2  0.0000  0.8753  0.9710  1
]