# generated using pymatgen
data_Nb12V21AsIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72898906
_cell_length_b   8.72898842
_cell_length_c   8.31159610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb12V21AsIr2
_chemical_formula_sum   'Nb12 V21 As1 Ir2'
_cell_volume   548.45746404
_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
  Nb  Nb0  1  0.33500595  0.99985604  0.06203332  1.0
  Nb  Nb1  1  0.66485109  0.99985604  0.93796668  1.0
  Nb  Nb2  1  0.00014396  0.33514891  0.06203332  1.0
  Nb  Nb3  1  0.66682569  0.00168704  0.55946823  1.0
  Nb  Nb4  1  0.99831296  0.33317431  0.44053177  1.0
  Nb  Nb5  1  0.00014396  0.66499405  0.93796668  1.0
  Nb  Nb6  1  0.33486135  0.00168704  0.44053177  1.0
  Nb  Nb7  1  0.99831296  0.66513865  0.55946823  1.0
  Nb  Nb8  1  0.66485109  0.66499405  0.06203332  1.0
  Nb  Nb9  1  0.33500595  0.33514891  0.93796668  1.0
  Nb  Nb10  1  0.33486135  0.33317431  0.55946823  1.0
  Nb  Nb11  1  0.66682569  0.66513865  0.44053177  1.0
  V  V12  1  0.16252959  0.49514278  0.75309569  1.0
  V  V13  1  0.83575349  0.50334998  0.24993031  1.0
  V  V14  1  0.50485722  0.66738681  0.75309569  1.0
  V  V15  1  0.49665002  0.16424651  0.75006969  1.0
  V  V16  1  0.49665002  0.33240452  0.24993031  1.0
  V  V17  1  0.50485722  0.83747041  0.24690431  1.0
  V  V18  1  0.33261319  0.83747041  0.75309569  1.0
  V  V19  1  0.66759548  0.50334998  0.75006969  1.0
  V  V20  1  0.66759548  0.16424651  0.24993031  1.0
  V  V21  1  0.33261319  0.49514278  0.24690431  1.0
  V  V22  1  0.83575349  0.33240452  0.75006969  1.0
  V  V23  1  0.16252959  0.66738681  0.24690431  1.0
  V  V24  1  0.66666700  0.33333300  0.50000000  1.0
  V  V25  1  0.66666700  0.33333300  0.00000000  1.0
  V  V26  1  0.33333300  0.66666700  0.00000000  1.0
  V  V27  1  0.17034610  0.00055463  0.75063514  1.0
  V  V28  1  0.83020753  0.00055463  0.24936486  1.0
  V  V29  1  0.99944537  0.16979247  0.75063514  1.0
  V  V30  1  0.99944537  0.82965390  0.24936486  1.0
  V  V31  1  0.83020753  0.82965390  0.75063514  1.0
  V  V32  1  0.17034610  0.16979247  0.24936486  1.0
  As  As33  1  0.33333300  0.66666700  0.50000000  1.0
  Ir  Ir34  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir35  1  0.00000000  0.00000000  0.00000000  1.0