data_[Ca8Mo4W4N20]
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
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2622]
_cell_length_b [13.2834]
_cell_length_c [11.0114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca2MoWN5]
_chemical_formula_sum '[Ca8 Mo4 W4 N20]'
_cell_volume [477.1632]
_cell_formula_units_Z [4]
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  4  0.0000  0.0947  0.6749  1.0
  Ca  Ca1  4  0.0000  0.1505  0.2943  1.0
  Mo  Mo2  4  0.0000  0.2354  0.0298  1.0
  W  W3  4  0.0000  0.4534  0.4435  1.0
  N  N4  4  0.0000  0.0498  0.0372  1.0
  N  N5  4  0.0000  0.2740  0.6490  1.0
  N  N6  4  0.0000  0.3125  0.4018  1.0
  N  N7  4  0.0000  0.3697  0.0032  1.0
  N  N8  4  0.0000  0.4922  0.7903  1.0
]