data_[Ho2Sc2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ho  1.2300  1.7500  1.0410
  Sc  1.3600  1.6000  0.8850
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.9782]
_cell_length_b [3.4308]
_cell_length_c [6.0492]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0208]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [HoScC]
_chemical_formula_sum '[Ho2 Sc2 C2]'
_cell_volume [122.8554]
_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
[
  Ho  Ho0  2  0.3838  0.2500  0.2713  1.0
  Sc  Sc1  2  0.1088  0.2500  0.7001  1.0
  C  C2  2  0.2415  0.7500  0.5013  1.0
]