data_[Sc16Ga4Si4N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.0226]
_cell_length_b [14.3171]
_cell_length_c [6.0221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4GaSiN]
_chemical_formula_sum '[Sc16 Ga4 Si4 N4]'
_cell_volume [519.2609]
_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
[
  Sc  Sc0  8  0.2500  0.2500  0.0000  1.0
  Sc  Sc1  4  0.0000  0.0852  0.7500  1.0
  Sc  Sc2  4  0.0000  0.4131  0.7500  1.0
  Ga  Ga3  4  0.0000  0.3894  0.2500  1.0
  Si  Si4  4  0.0000  0.1120  0.2500  1.0
  N  N5  4  0.0000  0.2495  0.7500  1.0
]