data_[Zr2Co4B4]
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 [P2_1/m]
_cell_length_a [3.7300]
_cell_length_b [3.3609]
_cell_length_c [8.4041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr(CoB)2]
_chemical_formula_sum '[Zr2 Co4 B4]'
_cell_volume [105.0332]
_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  2  0.2855  0.2500  0.7498  1
  Co  Co1  2  0.1641  0.2500  0.0961  1
  Co  Co2  2  0.2496  0.7500  0.4962  1
  B  B3  2  0.2261  0.2500  0.3602  1
  B  B4  2  0.3531  0.7500  0.9860  1
]