data_Co2CuAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   4.14
_cell_angle_alpha   108.44
_cell_angle_beta   108.44
_cell_angle_gamma   36.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuAs
_chemical_formula_sum   'Co2 Cu1 As1'
_cell_volume   48.46
_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  Co1  1  0.95  0.0  0.24  1.0
  Co  Co2  1  0.24  0.0  0.69  1.0
  Cu  Cu3  1  0.61  0.0  0.18  1.0
  As  As0  1  0.23  0.0  0.74  1.0

data_Co2CuAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.14
_cell_length_c   4.59
_cell_angle_alpha   108.44
_cell_angle_beta   108.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2CuAs
_chemical_formula_sum   'Co2 Cu1 As1'
_cell_volume   48.46
_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  0.24  0.95  1.0
  Co  Co1  1  0.0  0.69  0.24  1.0
  Cu  Cu2  1  0.0  0.18  0.61  1.0
  As  As3  1  0.0  0.74  0.23  1.0

Co Co Cu As