data_[Ta8Bi12Mo16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5212]
_cell_length_b [5.7562]
_cell_length_c [13.6521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8704]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ta2Bi3Mo4N3]
_chemical_formula_sum '[Ta8 Bi12 Mo16 N12]'
_cell_volume [806.0322]
_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  0.0770  0.3860  0.4355  1
  Bi  Bi1  8  0.1639  0.4238  0.7418  1
  Bi  Bi2  4  0.0000  0.0767  0.2500  1
  Mo  Mo3  8  0.1242  0.0185  0.5792  1
  Mo  Mo4  8  0.1988  0.1264  0.9191  1
  N  N5  8  0.1046  0.3081  0.0197  1
  N  N6  4  0.2500  0.2500  0.5000  1
]