data_[Ta16Mo8As12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Mo  2.1600  1.4500  0.7750
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8942]
_cell_length_b [5.7193]
_cell_length_c [12.3209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.5565]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta4Mo2(AsN)3]
_chemical_formula_sum '[Ta16 Mo8 As12 N12]'
_cell_volume [674.8346]
_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
[
  Ta  Ta0  8  0.1111  0.1125  0.0905  1
  Ta  Ta1  8  0.2346  0.0657  0.4101  1
  Mo  Mo2  8  0.0318  0.4330  0.9022  1
  As  As3  8  0.1692  0.4148  0.2568  1
  As  As4  4  0.0000  0.0897  0.7500  1
  N  N5  8  0.0905  0.2335  0.4995  1
  N  N6  4  0.2500  0.2500  0.0000  1
]