data_VFe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   3.92
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2As
_chemical_formula_sum   'V1 Fe2 As1'
_cell_volume   51.23
_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  V3  1  0.96  0.0  0.4  1.0
  Fe  Fe1  1  0.36  0.0  0.12  1.0
  Fe  Fe2  1  0.01  0.96  0.12  1.0
  As  As0  1  0.61  0.96  0.55  1.0

data_VFe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   3.92
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   99.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   VFe2As
_chemical_formula_sum   'V1 Fe2 As1'
_cell_volume   51.23
_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  0.96  0.0  0.4  1.0
  Fe  Fe1  1  0.01  0.96  0.12  1.0
  Fe  Fe2  1  0.36  0.0  0.12  1.0
  As  As3  1  0.61  0.96  0.55  1.0

V Fe Fe As