data_[Sc6Ag2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [6.0956]
_cell_length_b [5.7159]
_cell_length_c [5.6785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [Sc3AgC]
_chemical_formula_sum '[Sc6 Ag2 C2]'
_cell_volume [192.4910]
_cell_formula_units_Z [2]
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  4  0.2535  0.1559  0.8162  1.0
  Sc  Sc1  2  0.0000  0.3011  0.2500  1.0
  Ag  Ag2  2  0.5000  0.3859  0.2500  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]