data_CoCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   3.55
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuAs2
_chemical_formula_sum   'Co1 Cu1 As2'
_cell_volume   64.1
_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  0.35  1.0
  Cu  Cu3  1  0.39  0.77  0.74  1.0
  As  As0  1  0.0  0.0  0.83  1.0
  As  As1  1  0.39  0.77  0.29  1.0

data_CoCuAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.79
_cell_length_b   3.55
_cell_length_c   6.49
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoCuAs2
_chemical_formula_sum   'Co1 Cu1 As2'
_cell_volume   64.1
_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  0.35  1.0
  Cu  Cu1  1  0.39  0.77  0.74  1.0
  As  As2  1  0.0  0.0  0.83  1.0
  As  As3  1  0.39  0.77  0.29  1.0

Co Cu As As