data_[Sc1Ni2Ru1C1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Ru  2.2000  1.3000  0.6610
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.8847]
_cell_length_b [3.8847]
_cell_length_c [4.0427]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ScNi2RuC]
_chemical_formula_sum '[Sc1 Ni2 Ru1 C1]'
_cell_volume [61.0077]
_cell_formula_units_Z [1]
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  1  0.5000  0.5000  0.5000  1.0
  Ni  Ni1  2  0.0000  0.5000  0.0000  1.0
  Ru  Ru2  1  0.0000  0.0000  0.5000  1.0
  C  C3  1  0.0000  0.0000  0.0000  1.0
]