data_CoB2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.28
_cell_length_b   3.09
_cell_length_c   4.64
_cell_angle_alpha   90.0
_cell_angle_beta   101.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoB2As
_chemical_formula_sum   'Co1 B2 As1'
_cell_volume   45.99
_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  0.35  0.0  0.63  1.0
  B  B1  1  0.92  0.0  0.72  1.0
  B  B2  1  0.3  0.54  0.11  1.0
  As  As0  1  0.64  0.54  0.9  1.0

data_CoB2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.09
_cell_length_b   3.28
_cell_length_c   4.64
_cell_angle_alpha   101.61
_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   45.99
_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  0.65  0.37  1.0
  B  B1  1  0.0  0.08  0.28  1.0
  B  B2  1  0.46  0.7  0.89  1.0
  As  As3  1  0.46  0.36  0.1  1.0

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