data_[V2Cu2B2C2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.1852]
_cell_length_b [3.1852]
_cell_length_c [7.6569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [VCuBC]
_chemical_formula_sum '[V2 Cu2 B2 C2]'
_cell_volume [77.6852]
_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
[
  V  V0  2  0.0000  0.5000  0.8693  1
  Cu  Cu1  2  0.0000  0.0000  0.5000  1
  B  B2  2  0.0000  0.5000  0.3109  1
  C  C3  2  0.0000  0.5000  0.1204  1
]