data_[Ca8Mo8N16O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.6691]
_cell_length_b [7.7462]
_cell_length_c [7.9726]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [CaMoN2O]
_chemical_formula_sum '[Ca8 Mo8 N16 O8]'
_cell_volume [473.6247]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.2532  1
  Mo  Mo1  8  0.2500  0.2500  0.0000  1
  N  N2  8  0.0000  0.1846  0.0000  1
  N  N3  8  0.2500  0.2500  0.2500  1
  O  O4  8  0.1819  0.0000  0.5000  1
]