data_CuAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04
_cell_length_b   5.04
_cell_length_c   2.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgAs2
_chemical_formula_sum   'Cu1 Ag1 As2'
_cell_volume   70.33
_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
  Cu  Cu3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.93  0.0  0.0  1.0
  As  As1  1  0.46  0.95  0.46  1.0
  As  As2  1  0.46  0.05  0.46  1.0

data_CuAgAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   5.04
_cell_length_c   5.04
_cell_angle_alpha   108.94
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuAgAs2
_chemical_formula_sum   'Cu1 Ag1 As2'
_cell_volume   70.33
_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
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.0  0.93  0.0  1.0
  As  As2  1  0.46  0.46  0.05  1.0
  As  As3  1  0.46  0.46  0.95  1.0

Cu Ag As As
Cu Ag As As 0 1 - o o 2 3 o + o 