data_[Co4As4Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Co  1.8800  1.3500  0.7683
  As  2.1800  1.1500  0.6600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9737]
_cell_length_b [5.7574]
_cell_length_c [5.9497]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoAsSe]
_chemical_formula_sum '[Co4 As4 Se4]'
_cell_volume [197.2689]
_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  0.2477  0.5039  0.7513  1.0
  As  As1  4  0.1374  0.6316  0.3607  1.0
  Se  Se2  4  0.3518  0.1293  0.6489  1.0
]