data_[Co4As8]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9383]
_cell_length_b [5.8912]
_cell_length_c [5.9937]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.0027]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CoAs2]
_chemical_formula_sum '[Co4 As8]'
_cell_volume [188.4569]
_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  0.2718  0.0005  0.2856  1.0
  As  As1  4  0.1534  0.6340  0.3679  1.0
  As  As2  4  0.3431  0.1361  0.6746  1.0
]