# generated using pymatgen
data_Mn3Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38687095
_cell_length_b   5.46115303
_cell_length_c   4.41361163
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.59011570
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn3Ir
_chemical_formula_sum   'Mn6 Ir2'
_cell_volume   112.90798040
_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
  Mn  Mn0  1  0.16899287  0.34055723  0.25000000  1.0
  Mn  Mn1  1  0.66236126  0.83472634  0.25000000  1.0
  Mn  Mn2  1  0.17674915  0.83604028  0.25000000  1.0
  Mn  Mn3  1  0.82839097  0.65959071  0.75000000  1.0
  Mn  Mn4  1  0.33986737  0.16371507  0.75000000  1.0
  Mn  Mn5  1  0.82691224  0.16531690  0.75000000  1.0
  Ir  Ir6  1  0.66974015  0.34266987  0.25000000  1.0
  Ir  Ir7  1  0.32698499  0.65737960  0.75000000  1.0