data_[Sc16Ga4Sb4C4]
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
  Sb  2.0500  1.4500  0.8300
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.2479]
_cell_length_b [14.6364]
_cell_length_c [6.2492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4GaSbC]
_chemical_formula_sum '[Sc16 Ga4 Sb4 C4]'
_cell_volume [571.4715]
_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  0.0879  0.2500  1.0
  Sc  Sc2  4  0.0000  0.4039  0.2500  1.0
  Ga  Ga3  4  0.0000  0.1134  0.7500  1.0
  Sb  Sb4  4  0.0000  0.3945  0.7500  1.0
  C  C5  4  0.0000  0.2481  0.2500  1.0
]