# generated using pymatgen
data_NbCo2B2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75689971
_cell_length_b   5.75689933
_cell_length_c   5.75689982
_cell_angle_alpha   95.73276132
_cell_angle_beta   95.73276151
_cell_angle_gamma   95.73277964
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbCo2B2Ir
_chemical_formula_sum   'Nb3 Co6 B6 Ir3'
_cell_volume   187.72413062
_cell_formula_units_Z   3
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  0.00000000  0.00000000  0.00000000  1.0
  Nb  Nb1  1  0.66432555  0.66432555  0.66432555  1.0
  Nb  Nb2  1  0.33567445  0.33567445  0.33567445  1.0
  Co  Co3  1  0.69381115  0.21470613  0.69381115  1.0
  Co  Co4  1  0.69381115  0.69381115  0.21470613  1.0
  Co  Co5  1  0.21470613  0.69381115  0.69381115  1.0
  Co  Co6  1  0.30618885  0.78529387  0.30618885  1.0
  Co  Co7  1  0.30618885  0.30618885  0.78529387  1.0
  Co  Co8  1  0.78529387  0.30618885  0.30618885  1.0
  B  B9  1  0.61193737  0.38806263  1.00000000  1.0
  B  B10  1  0.00000000  0.61193737  0.38806263  1.0
  B  B11  1  0.38806263  1.00000000  0.61193737  1.0
  B  B12  1  1.00000000  0.38806263  0.61193737  1.0
  B  B13  1  0.61193737  0.00000000  0.38806263  1.0
  B  B14  1  0.38806263  0.61193737  0.00000000  1.0
  Ir  Ir15  1  0.00000000  0.00000000  0.50000000  1.0
  Ir  Ir16  1  0.50000000  0.00000000  0.00000000  1.0
  Ir  Ir17  1  0.00000000  0.50000000  0.00000000  1.0