data_[Mn2Co8Sn12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.3848]
_cell_length_b [9.3495]
_cell_length_c [6.6263]
_cell_angle_alpha [90.0000]
_cell_angle_beta [135.0315]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Mn(Co2Sn3)2]
_chemical_formula_sum '[Mn2 Co8 Sn12]'
_cell_volume [410.8959]
_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  0.4728  0.5000  0.9495  1.0
  Co  Co1  4  0.4312  0.1732  0.0034  1.0
  Co  Co2  2  0.2472  0.5000  0.3558  1.0
  Co  Co3  2  0.4066  0.0000  0.6677  1.0
  Sn  Sn4  4  0.2232  0.3352  0.0077  1.0
  Sn  Sn5  4  0.2499  0.2467  0.4994  1.0
  Sn  Sn6  2  0.1198  0.0000  0.6742  1.0
  Sn  Sn7  2  0.4446  0.0000  0.3311  1.0
]