# generated using pymatgen
data_Zr3Sc(B5Ir4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51943859
_cell_length_b   7.56496414
_cell_length_c   13.08441515
_cell_angle_alpha   89.99341495
_cell_angle_beta   90.00037739
_cell_angle_gamma   90.00141656
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3Sc(B5Ir4)3
_chemical_formula_sum   'Zr3 Sc1 B15 Ir12'
_cell_volume   348.36504966
_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  0.25821633  0.00112862  0.33510124  1.0
  Zr  Zr1  1  0.75812443  0.00110153  0.66533176  1.0
  Zr  Zr2  1  0.75764331  0.49873289  0.16837231  1.0
  Sc  Sc3  1  0.25795026  0.49892663  0.83161812  1.0
  B  B4  1  0.50743572  0.99991749  0.99875289  1.0
  B  B5  1  0.26286315  0.50140025  0.50113026  1.0
  B  B6  1  0.00772059  0.99988053  0.99865386  1.0
  B  B7  1  0.75858215  0.33012843  0.72233071  1.0
  B  B8  1  0.75787528  0.82510089  0.22489523  1.0
  B  B9  1  0.75777480  0.74827860  0.79971804  1.0
  B  B10  1  0.75873056  0.25304682  0.30435674  1.0
  B  B11  1  0.75761588  0.42495478  0.97229526  1.0
  B  B12  1  0.75893534  0.91775708  0.47639465  1.0
  B  B13  1  0.25758081  0.17653573  0.77509084  1.0
  B  B14  1  0.25772173  0.67421537  0.27718066  1.0
  B  B15  1  0.25792754  0.74652897  0.69941594  1.0
  B  B16  1  0.25717213  0.24954548  0.20005884  1.0
  B  B17  1  0.25752008  0.07826342  0.52556530  1.0
  B  B18  1  0.25758779  0.57515693  0.02331064  1.0
  Ir  Ir19  1  0.75800574  0.59275696  0.66557463  1.0
  Ir  Ir20  1  0.75733521  0.09001076  0.16513949  1.0
  Ir  Ir21  1  0.75764741  0.70833982  0.96231667  1.0
  Ir  Ir22  1  0.75764067  0.20293827  0.46359353  1.0
  Ir  Ir23  1  0.75759825  0.20197920  0.87280242  1.0
  Ir  Ir24  1  0.75793122  0.70275511  0.37068243  1.0
  Ir  Ir25  1  0.25766323  0.91173698  0.83602137  1.0
  Ir  Ir26  1  0.25862921  0.41147033  0.33902336  1.0
  Ir  Ir27  1  0.25879366  0.78564697  0.53613284  1.0
  Ir  Ir28  1  0.25754310  0.29121714  0.03787010  1.0
  Ir  Ir29  1  0.25858419  0.30271120  0.62452876  1.0
  Ir  Ir30  1  0.25764924  0.79783480  0.12673912  1.0