data_[Zr4Sc12Co4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Sc  1.3600  1.6000  0.8850
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5581]
_cell_length_b [7.8796]
_cell_length_c [7.3402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.0633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrSc3Co]
_chemical_formula_sum '[Zr4 Sc12 Co4]'
_cell_volume [438.8037]
_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
[
  Zr  Zr0  4  0.0553  0.0000  0.3455  1
  Sc  Sc1  8  0.2435  0.8011  0.2030  1
  Sc  Sc2  4  0.0481  0.5000  0.2621  1
  Co  Co3  4  0.2462  0.0000  0.8608  1
]