# generated using pymatgen
data_Sc2CoIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51318974
_cell_length_b   4.51307278
_cell_length_c   4.51078958
_cell_angle_alpha   60.01784947
_cell_angle_beta   60.01286508
_cell_angle_gamma   60.03629014
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CoIr
_chemical_formula_sum   'Sc2 Co1 Ir1'
_cell_volume   64.99999076
_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
  Sc  Sc0  1  0.00003094  0.00002368  0.99996263  1.0
  Sc  Sc1  1  0.49997430  0.49997107  0.50003356  1.0
  Co  Co2  1  0.24999982  0.25000192  0.25000281  1.0
  Ir  Ir3  1  0.74999594  0.75000334  0.75000200  1.0