data_CoSbAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   3.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   106.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSbAs2
_chemical_formula_sum   'Co1 Sb1 As2'
_cell_volume   73.71
_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  Co2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.79  0.0  0.0  1.0
  As  As0  1  0.4  0.13  0.77  1.0
  As  As1  1  0.4  0.87  0.77  1.0

data_CoSbAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   106.44
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoSbAs2
_chemical_formula_sum   'Co1 Sb1 As2'
_cell_volume   73.71
_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
  Sb  Sb1  1  0.0  0.79  0.0  1.0
  As  As2  1  0.77  0.4  0.13  1.0
  As  As3  1  0.77  0.4  0.87  1.0

Co Sb As As