data_[Nb2Co4B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [3.6614]
_cell_length_b [3.2931]
_cell_length_c [8.2335]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.0747]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nb(CoB)2]
_chemical_formula_sum '[Nb2 Co4 B4]'
_cell_volume [98.8862]
_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
[
  Nb  Nb0  2  0.2932  0.7500  0.7471  1.0
  Co  Co1  2  0.1603  0.7500  0.0967  1.0
  Co  Co2  2  0.2502  0.2500  0.4970  1.0
  B  B3  2  0.2209  0.7500  0.3501  1.0
  B  B4  2  0.3577  0.2500  0.9858  1.0
]