data_[V2Cr2Ni2]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.4657]
_cell_length_b [4.1039]
_cell_length_c [7.0401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8346]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [VCrNi]
_chemical_formula_sum '[V2 Cr2 Ni2]'
_cell_volume [70.9865]
_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  1  0.2512  0.5000  0.4162  1
  V  V1  1  0.9153  0.0000  0.2150  1
  Cr  Cr2  1  0.6029  0.0000  0.5696  1
  Cr  Cr3  1  0.8991  0.5000  0.7574  1
  Ni  Ni4  1  0.3284  0.0000  0.8880  1
  Ni  Ni5  1  0.4797  0.5000  0.0787  1
]