data_[V2Cr1Ge1B1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.5492]
_cell_length_b [4.5492]
_cell_length_c [3.6182]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [V2CrGeB]
_chemical_formula_sum '[V2 Cr1 Ge1 B1]'
_cell_volume [74.8810]
_cell_formula_units_Z [1]
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  0.0000  1
  Cr  Cr1  1  0.5000  0.5000  0.5000  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  B  B3  1  0.0000  0.0000  0.5000  1
]