# generated using pymatgen
data_MgScMnIr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28535297
_cell_length_b   5.28535218
_cell_length_c   7.96879916
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000499
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScMnIr3
_chemical_formula_sum   'Mg2 Sc2 Mn2 Ir6'
_cell_volume   192.78419125
_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
  Mg  Mg0  1  0.66666700  0.33333300  0.93626953  1.0
  Mg  Mg1  1  0.33333300  0.66666700  0.43626953  1.0
  Sc  Sc2  1  0.33333300  0.66666700  0.07216111  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.57216111  1.0
  Mn  Mn4  1  0.00000000  0.00000000  0.99685215  1.0
  Mn  Mn5  1  0.00000000  0.00000000  0.49685215  1.0
  Ir  Ir6  1  0.82873161  0.65746323  0.24824007  1.0
  Ir  Ir7  1  0.17126839  0.82873161  0.74824007  1.0
  Ir  Ir8  1  0.65746323  0.82873161  0.74824007  1.0
  Ir  Ir9  1  0.34253677  0.17126839  0.24824007  1.0
  Ir  Ir10  1  0.82873161  0.17126839  0.24824007  1.0
  Ir  Ir11  1  0.17126839  0.34253677  0.74824007  1.0