data_[V4Cr2As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1913]
_cell_length_b [3.3821]
_cell_length_c [5.9715]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.1766]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2CrAs4]
_chemical_formula_sum '[V4 Cr2 As8]'
_cell_volume [239.0884]
_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  4  0.2489  0.0000  0.2412  1.0
  Cr  Cr1  2  0.0000  0.0000  0.0000  1.0
  As  As2  4  0.1181  0.5000  0.3032  1.0
  As  As3  4  0.1181  0.0000  0.7787  1.0
]