data_[Mg4Co2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [7.4133]
_cell_length_b [20.6434]
_cell_length_c [7.5885]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9107]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [Mg2CoSe3]
_chemical_formula_sum '[Mg4 Co2 Se6]'
_cell_volume [1016.5866]
_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
[
  Mg  Mg0  2  0.1986  0.4350  0.2274  1
  Mg  Mg1  2  0.6657  0.4602  0.6386  1
  Co  Co2  2  0.2490  0.4460  0.6266  1
  Se  Se3  2  0.3678  0.4540  0.9892  1
  Se  Se4  2  0.4056  0.3633  0.5324  1
  Se  Se5  2  0.9004  0.4860  0.4858  1
]