data_[Zr4Sc6Co4]
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 [11.0477]
_cell_length_b [3.2848]
_cell_length_c [8.3018]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.6771]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Sc3Co2]
_chemical_formula_sum '[Zr4 Sc6 Co4]'
_cell_volume [273.7566]
_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
[
  Zr  Zr0  4  0.1651  0.0000  0.8151  1.0
  Sc  Sc1  4  0.1168  0.5000  0.4322  1.0
  Sc  Sc2  2  0.0000  0.5000  0.0000  1.0
  Co  Co3  4  0.1800  0.0000  0.2331  1.0
]