data_[Zr4Al2Co10B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [8.7363]
_cell_length_b [8.7363]
_cell_length_c [3.0707]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Zr2AlCo5B2]
_chemical_formula_sum '[Zr4 Al2 Co10 B4]'
_cell_volume [234.3677]
_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  0.1772  0.6772  0.0000  1.0
  Al  Al1  2  0.0000  0.0000  0.0000  1.0
  Co  Co2  8  0.0684  0.2239  0.5000  1.0
  Co  Co3  2  0.0000  0.5000  0.5000  1.0
  B  B4  4  0.1184  0.3816  0.0000  1.0
]