data_[Mn2Ir2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ir  2.2000  1.3500  0.7650
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [12.0446]
_cell_length_b [3.5871]
_cell_length_c [18.0630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [MnIrSe4]
_chemical_formula_sum '[Mn2 Ir2 Se8]'
_cell_volume [780.4235]
_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  2  0.3710  0.2500  0.5019  1
  Ir  Ir1  2  0.1388  0.7500  0.4992  1
  Se  Se2  2  0.0421  0.2500  0.5709  1
  Se  Se3  2  0.2157  0.2500  0.4165  1
  Se  Se4  2  0.3022  0.7500  0.5848  1
  Se  Se5  2  0.4537  0.7500  0.4235  1
]