data_[Mn1Si1Sn1Ir1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Sn  1.9600  1.4500  0.8300
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.9156]
_cell_length_b [2.9729]
_cell_length_c [6.0205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnSiSnIrS]
_chemical_formula_sum '[Mn1 Si1 Sn1 Ir1 S1]'
_cell_volume [81.0405]
_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
[
  Mn  Mn0  1  0.2080  0.5000  0.3687  1
  Si  Si1  1  0.3890  0.0000  0.1497  1
  Sn  Sn2  1  0.6551  0.0000  0.7128  1
  Ir  Ir3  1  0.1920  0.5000  0.8160  1
  S  S4  1  0.8688  0.0000  0.2262  1
]