data_ZnCuAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.38
_cell_length_b   3.62
_cell_length_c   4.86
_cell_angle_alpha   90.0
_cell_angle_beta   104.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuAs2
_chemical_formula_sum   'Zn1 Cu1 As2'
_cell_volume   74.84
_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
  Zn  Zn3  1  0.6  0.0  0.36  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  As  As0  1  0.98  0.81  0.94  1.0
  As  As1  1  0.21  0.81  0.78  1.0

data_ZnCuAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.62
_cell_length_b   4.38
_cell_length_c   4.86
_cell_angle_alpha   104.07
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCuAs2
_chemical_formula_sum   'Zn1 Cu1 As2'
_cell_volume   74.84
_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
  Zn  Zn0  1  0.0  0.4  0.64  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.19  0.02  0.06  1.0
  As  As3  1  0.19  0.79  0.22  1.0

Zn Cu As As