data_[Mn2Co4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4321]
_cell_length_b [3.6271]
_cell_length_c [6.2897]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mn(CoSe2)2]
_chemical_formula_sum '[Mn2 Co4 Se8]'
_cell_volume [246.0951]
_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  0.0000  0.0000  0.0000  1.0
  Co  Co1  4  0.2468  0.5000  0.7603  1.0
  Se  Se2  4  0.1362  0.0000  0.8026  1.0
  Se  Se3  4  0.1376  0.5000  0.3090  1.0
]