data_[Ca2Zn4Mo2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  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 [7.1423]
_cell_length_b [5.7183]
_cell_length_c [5.4261]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaZn2MoN4]
_chemical_formula_sum '[Ca2 Zn4 Mo2 N8]'
_cell_volume [221.6111]
_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
[
  Ca  Ca0  2  0.0000  0.8228  0.4814  1.0
  Zn  Zn1  4  0.2468  0.6719  0.9978  1.0
  Mo  Mo2  2  0.0000  0.1901  0.0018  1.0
  N  N3  4  0.2118  0.3369  0.8712  1.0
  N  N4  2  0.0000  0.2209  0.3470  1.0
  N  N5  2  0.0000  0.8629  0.9318  1.0
]