data_[Zr4Sc4Co4]
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 [11.2786]
_cell_length_b [3.2061]
_cell_length_c [6.4111]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.5352]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrScCo]
_chemical_formula_sum '[Zr4 Sc4 Co4]'
_cell_volume [222.2369]
_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  0.1509  0.5000  0.8279  1.0
  Sc  Sc1  4  0.1381  0.5000  0.3186  1.0
  Co  Co2  2  0.0000  0.0000  0.0000  1.0
  Co  Co3  2  0.0000  0.0000  0.5000  1.0
]