# generated using pymatgen
data_MgSc2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.58646737
_cell_length_b   11.58646737
_cell_length_c   11.58646737
_cell_angle_alpha   123.85475972
_cell_angle_beta   118.53314799
_cell_angle_gamma   88.00818794
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc2Ir
_chemical_formula_sum   'Mg1 Sc2 Ir1'
_cell_volume   1076.26418158
_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
  Mg  Mg0  1  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.29035400  0.29035400  1.0
  Sc  Sc2  1  0.00000000  0.70964600  0.70964600  1.0
  Ir  Ir3  1  0.00000000  0.50000000  0.50000000  1.0