data_[Mn3In6Co3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [3.1004]
_cell_length_b [3.1004]
_cell_length_c [26.5218]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnIn2Co]
_chemical_formula_sum '[Mn3 In6 Co3]'
_cell_volume [220.7911]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4878  1
  In  In1  3  0.0000  0.0000  0.0124  1
  In  In2  3  0.0000  0.0000  0.2419  1
  Co  Co3  3  0.0000  0.0000  0.7578  1
]