data_CoAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.89
_cell_length_b   4.89
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   144.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co2 As2'
_cell_volume   53.5
_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  Co2  1  0.5  0.82  0.87  1.0
  Co  Co3  1  0.5  0.18  0.96  1.0
  As  As0  1  0.5  0.32  0.87  1.0
  As  As1  1  0.5  0.68  0.96  1.0

data_CoAs
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   3.83
_cell_length_c   4.89
_cell_angle_alpha   90.0
_cell_angle_beta   107.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   CoAs
_chemical_formula_sum   'Co2 As2'
_cell_volume   53.5
_cell_formula_units_Z   2
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  0.18  0.96  0.18  1.0
  As  As1  2  0.32  0.04  0.32  1.0

Co Co As As
Co Co As As 0 3 o o o 1 2 o o o 