data_[Sc24As4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.3909]
_cell_length_b [11.2886]
_cell_length_c [17.3484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc6AsC4]
_chemical_formula_sum '[Sc24 As4 C16]'
_cell_volume [664.0791]
_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  0.0000  0.0334  0.1489  1
  Sc  Sc1  8  0.0000  0.2264  0.5785  1
  Sc  Sc2  4  0.0000  0.3332  0.2500  1
  Sc  Sc3  4  0.0000  0.5000  0.0000  1
  As  As4  4  0.0000  0.3469  0.7500  1
  C  C5  8  0.0000  0.1357  0.0416  1
  C  C6  8  0.0000  0.4037  0.1295  1
]