data_[Co4Ge4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6763]
_cell_length_b [7.1291]
_cell_length_c [6.0765]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8073]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoGeSe]
_chemical_formula_sum '[Co4 Ge4 Se4]'
_cell_volume [221.3726]
_cell_formula_units_Z [4]
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  4  0.0316  0.5878  0.8262  1
  Ge  Ge1  4  0.1944  0.1378  0.1222  1
  Se  Se2  4  0.2593  0.6576  0.2424  1
]