# generated using pymatgen
data_Nb2V3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98620567
_cell_length_b   4.98620520
_cell_length_c   8.39684119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999654
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2V3As
_chemical_formula_sum   'Nb4 V6 As2'
_cell_volume   180.79521087
_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
  Nb  Nb0  1  0.33333400  0.66666800  0.06288107  1.0
  Nb  Nb1  1  0.33333400  0.66666800  0.43711893  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.56288107  1.0
  Nb  Nb3  1  0.66666700  0.33333300  0.93711893  1.0
  V  V4  1  0.34388030  0.17193915  0.25000100  1.0
  V  V5  1  0.82805885  0.17193915  0.25000100  1.0
  V  V6  1  0.82806085  0.65611870  0.25000100  1.0
  V  V7  1  0.17194015  0.34388130  0.75000100  1.0
  V  V8  1  0.17194015  0.82805885  0.75000100  1.0
  V  V9  1  0.65611770  0.82805885  0.75000100  1.0
  As  As10  1  0.00000000  0.00000000  0.00000000  1.0
  As  As11  1  0.00000000  0.00000000  0.50000000  1.0