data_CoB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   2.89
_cell_length_c   4.81
_cell_angle_alpha   90.0
_cell_angle_beta   105.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2As
_chemical_formula_sum   'Co1 B2 As1'
_cell_volume   41.04
_cell_formula_units_Z   1
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  Co3  1  0.0  0.0  0.0  1.0
  B  B1  1  0.23  0.44  0.82  1.0
  B  B2  1  0.56  0.44  0.82  1.0
  As  As0  1  0.89  0.0  0.32  1.0

data_CoB2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   3.06
_cell_length_c   4.81
_cell_angle_alpha   105.42
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2As
_chemical_formula_sum   'Co1 B2 As1'
_cell_volume   41.04
_cell_formula_units_Z   1
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  1  0.0  0.0  0.0  1.0
  B  B1  1  0.56  0.44  0.18  1.0
  B  B2  1  0.56  0.77  0.18  1.0
  As  As3  1  0.0  0.11  0.68  1.0

Co B B As
Co B B As 0 2 - o - 0 3 - o o 0 1 o - - 0 1 o o - 1 2 o o o 