# generated using pymatgen
data_Zr4B14AsIr12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49626199
_cell_length_b   7.71728136
_cell_length_c   13.36167094
_cell_angle_alpha   89.98242250
_cell_angle_beta   90.00497240
_cell_angle_gamma   89.99518484
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4B14AsIr12
_chemical_formula_sum   'Zr4 B14 As1 Ir12'
_cell_volume   360.51974233
_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
  Zr  Zr0  1  0.25143656  0.49835744  0.83484043  1.0
  Zr  Zr1  1  0.25274128  0.00143758  0.33189565  1.0
  Zr  Zr2  1  0.74725872  0.99856242  0.66810435  1.0
  Zr  Zr3  1  0.74856344  0.50164256  0.16515957  1.0
  B  B4  1  0.50000000  0.00000000  0.00000000  1.0
  B  B5  1  0.00000000  0.00000000  0.00000000  1.0
  B  B6  1  0.76044877  0.32540965  0.72753156  1.0
  B  B7  1  0.75390294  0.82929601  0.22000152  1.0
  B  B8  1  0.75365348  0.75324671  0.80486370  1.0
  B  B9  1  0.76022282  0.24812444  0.29864884  1.0
  B  B10  1  0.75027085  0.42293195  0.97503909  1.0
  B  B11  1  0.76383341  0.92033166  0.47387827  1.0
  B  B12  1  0.24609706  0.17070399  0.77999848  1.0
  B  B13  1  0.23955123  0.67459035  0.27246844  1.0
  B  B14  1  0.23977718  0.75187556  0.70135116  1.0
  B  B15  1  0.24634652  0.24675329  0.19513630  1.0
  B  B16  1  0.23616659  0.07966834  0.52612173  1.0
  B  B17  1  0.24972915  0.57706805  0.02496091  1.0
  As  As18  1  0.50000000  0.50000000  0.50000000  1.0
  Ir  Ir19  1  0.74127512  0.59199857  0.67461732  1.0
  Ir  Ir20  1  0.74838951  0.09011012  0.16305957  1.0
  Ir  Ir21  1  0.75038073  0.70424340  0.96311298  1.0
  Ir  Ir22  1  0.73947157  0.19724383  0.45908387  1.0
  Ir  Ir23  1  0.74823989  0.20228493  0.87412411  1.0
  Ir  Ir24  1  0.74113827  0.71221954  0.36560513  1.0
  Ir  Ir25  1  0.25161049  0.90988988  0.83694043  1.0
  Ir  Ir26  1  0.25872488  0.40800143  0.32538268  1.0
  Ir  Ir27  1  0.26052843  0.80275617  0.54091613  1.0
  Ir  Ir28  1  0.24961927  0.29575660  0.03688702  1.0
  Ir  Ir29  1  0.25886173  0.28778046  0.63439487  1.0
  Ir  Ir30  1  0.25176011  0.79771507  0.12587589  1.0