data_[Zr4Co20B12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4244]
_cell_length_b [10.6479]
_cell_length_c [10.1315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ZrCo5B3]
_chemical_formula_sum '[Zr4 Co20 B12]'
_cell_volume [369.4211]
_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  0.0000  0.1631  0.2500  1
  Co  Co1  8  0.0000  0.2053  0.5688  1
  Co  Co2  8  0.0000  0.4402  0.1440  1
  Co  Co3  4  0.0000  0.0000  0.0000  1
  B  B4  8  0.0000  0.3882  0.5532  1
  B  B5  4  0.0000  0.1315  0.7500  1
]