data_CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   3.47
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co4 As4'
_cell_volume   106.85
_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  Co4  1  0.01  0.87  0.67  1.0
  Co  Co5  1  0.65  0.87  0.07  1.0
  Co  Co6  1  0.63  0.6  0.76  1.0
  Co  Co7  1  0.28  0.6  0.16  1.0
  As  As0  1  0.06  0.87  0.4  1.0
  As  As1  1  0.7  0.87  0.51  1.0
  As  As2  1  0.58  0.6  0.31  1.0
  As  As3  1  0.22  0.6  0.43  1.0

data_CoAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.47
_cell_length_b   5.28
_cell_length_c   5.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co4 As4'
_cell_volume   106.85
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  0.13  0.01  0.16  1.0
  Co  Co1  2  0.13  0.37  0.76  1.0
  As  As2  2  0.13  0.06  0.6  1.0
  As  As3  2  0.13  0.42  0.49  1.0

Co Co Co Co As As As As