data_[Mn4Cu4Ir4S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Cu  1.9000  1.3500  0.8200
  Ir  2.2000  1.3500  0.7650
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [6.8324]
_cell_length_b [7.1341]
_cell_length_c [9.8027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [MnCuIrS4]
_chemical_formula_sum '[Mn4 Cu4 Ir4 S16]'
_cell_volume [477.8171]
_cell_formula_units_Z [4]
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  4  0.2500  0.2500  0.7500  1
  Cu  Cu1  4  0.0000  0.2500  0.3705  1
  Ir  Ir2  4  0.0000  0.0000  0.0000  1
  S  S3  8  0.0000  0.0194  0.7569  1
  S  S4  8  0.2305  0.2500  0.9909  1
]