data_LiCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   5.06
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   92.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAs2
_chemical_formula_sum   'Li1 Cu1 As2'
_cell_volume   65.14
_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
  Li  Li3  1  0.87  0.0  0.52  1.0
  Cu  Cu2  1  0.2  0.53  0.18  1.0
  As  As0  1  0.19  0.53  0.39  1.0
  As  As1  1  0.53  0.0  0.27  1.0

data_LiCuAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.55
_cell_length_c   5.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuAs2
_chemical_formula_sum   'Li1 Cu1 As2'
_cell_volume   65.14
_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
  Li  Li0  1  0.13  0.48  0.0  1.0
  Cu  Cu1  1  0.8  0.82  0.47  1.0
  As  As2  1  0.47  0.73  0.0  1.0
  As  As3  1  0.81  0.61  0.47  1.0

Li Cu As As