data_[Cu2Si2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [4.0581]
_cell_length_b [3.4785]
_cell_length_c [5.8310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.9013]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CuSiB]
_chemical_formula_sum '[Cu2 Si2 B2]'
_cell_volume [73.4037]
_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
[
  Cu  Cu0  2  0.3692  0.3849  0.5431  1
  Si  Si1  2  0.8635  0.2162  0.0035  1
  B  B2  2  0.9471  0.2803  0.6926  1
]