# generated using pymatgen
data_Sc5As2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78435285
_cell_length_b   7.89356384
_cell_length_c   7.96443488
_cell_angle_alpha   119.70608570
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc5As2Ir
_chemical_formula_sum   'Sc10 As4 Ir2'
_cell_volume   315.85818516
_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
  Sc  Sc0  1  0.00000000  0.66100893  0.32201587  1.0
  Sc  Sc1  1  0.00000000  0.33899107  0.67798413  1.0
  Sc  Sc2  1  0.50000000  0.33899107  0.67798413  1.0
  Sc  Sc3  1  0.50000000  0.66100893  0.32201587  1.0
  Sc  Sc4  1  0.75000000  0.74897372  0.76813050  1.0
  Sc  Sc5  1  0.25000000  0.25102628  0.23186950  1.0
  Sc  Sc6  1  0.75000000  0.98084422  0.23186950  1.0
  Sc  Sc7  1  0.25000000  0.01915578  0.76813050  1.0
  Sc  Sc8  1  0.75000000  0.24700337  0.00000000  1.0
  Sc  Sc9  1  0.25000000  0.75299663  1.00000000  1.0
  As  As10  1  0.75000000  0.37892641  0.38814644  1.0
  As  As11  1  0.25000000  0.62107359  0.61185356  1.0
  As  As12  1  0.75000000  0.99077997  0.61185356  1.0
  As  As13  1  0.25000000  0.00922003  0.38814644  1.0
  Ir  Ir14  1  0.75000000  0.59389346  1.00000000  1.0
  Ir  Ir15  1  0.25000000  0.40610654  0.00000000  1.0