data_[Co2Sn4Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [19.2356]
_cell_length_b [4.8919]
_cell_length_c [8.8132]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [CoSn2Se3]
_chemical_formula_sum '[Co2 Sn4 Se6]'
_cell_volume [829.3027]
_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
[
  Co  Co0  2  0.5000  0.0000  0.3028  1
  Sn  Sn1  4  0.4152  0.0000  0.5287  1
  Se  Se2  4  0.3899  0.0000  0.1623  1
  Se  Se3  2  0.5000  0.0000  0.7827  1
]