data_[V3Fe1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.7222]
_cell_length_b [3.3541]
_cell_length_c [6.2489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.5339]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [V3FeAs4]
_chemical_formula_sum '[V3 Fe1 As4]'
_cell_volume [119.9299]
_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  1  0.0063  0.5000  0.6893  1
  V  V1  1  0.5010  0.5000  0.8064  1
  V  V2  1  0.9906  0.0000  0.3122  1
  Fe  Fe3  1  0.4989  0.0000  0.1871  1
  As  As4  1  0.2048  0.5000  0.0830  1
  As  As5  1  0.3066  0.0000  0.5708  1
  As  As6  1  0.6877  0.5000  0.4244  1
  As  As7  1  0.8042  0.0000  0.9269  1
]