data_[Sc4H1C2O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5946]
_cell_length_b [3.2941]
_cell_length_c [5.6891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.9946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4HC2O]
_chemical_formula_sum '[Sc4 H1 C2 O1]'
_cell_volume [99.1365]
_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  2  0.2662  0.5000  0.2504  1.0
  Sc  Sc1  2  0.2683  0.0000  0.7684  1.0
  H  H2  1  0.0000  0.5000  0.5000  1.0
  C  C3  1  0.5000  0.0000  0.5000  1.0
  C  C4  1  0.5000  0.5000  0.0000  1.0
  O  O5  1  0.0000  0.0000  0.0000  1.0
]