data_[Cd2Co1Se3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.2539]
_cell_length_b [19.8387]
_cell_length_c [4.3957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3503]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Cd2CoSe3]
_chemical_formula_sum '[Cd2 Co1 Se3]'
_cell_volume [352.0926]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  2  0.8381  0.3951  0.3833  1
  Co  Co1  1  0.2036  0.5000  0.9440  1
  Se  Se2  2  0.2079  0.3780  0.0098  1
  Se  Se3  1  0.6146  0.5000  0.6877  1
]