data_[V20Ga4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8093]
_cell_length_b [7.3597]
_cell_length_c [7.1671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.6311]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [V5GaN]
_chemical_formula_sum '[V20 Ga4 N4]'
_cell_volume [353.0080]
_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
[
  V  V0  8  0.1249  0.2346  0.1282  1.0
  V  V1  8  0.2349  0.4052  0.5232  1.0
  V  V2  4  0.0000  0.1054  0.7500  1.0
  Ga  Ga3  4  0.0000  0.4450  0.7500  1.0
  N  N4  4  0.0000  0.0000  0.0000  1.0
]