data_[Co2Ag2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.1792]
_cell_length_b [3.5466]
_cell_length_c [7.7552]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6920]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CoAgSe2]
_chemical_formula_sum '[Co2 Ag2 Se4]'
_cell_volume [163.6248]
_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  0.2496  0.2500  0.0044  1.0
  Ag  Ag1  2  0.2031  0.7500  0.5018  1.0
  Se  Se2  2  0.1337  0.7500  0.1630  1.0
  Se  Se3  2  0.3588  0.7500  0.8409  1.0
]