data_[In4Co2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.8491]
_cell_length_b [3.7291]
_cell_length_c [18.1118]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [In2CoSe2]
_chemical_formula_sum '[In4 Co2 Se4]'
_cell_volume [800.3044]
_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
[
  In  In0  2  0.1605  0.5000  0.4428  1
  In  In1  2  0.4220  0.5000  0.4125  1
  Co  Co2  2  0.4810  0.0000  0.5332  1
  Se  Se3  2  0.0435  0.0000  0.5843  1
  Se  Se4  2  0.2906  0.0000  0.5272  1
]