data_Zn2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.93
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgAs
_chemical_formula_sum   'Zn2 Ag1 As1'
_cell_volume   71.59
_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  Zn2  1  0.0  0.96  0.76  1.0
  Zn  Zn3  1  0.0  0.96  0.6  1.0
  Ag  Ag0  1  0.43  0.0  0.18  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_Zn2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.93
_cell_length_c   6.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2AgAs
_chemical_formula_sum   'Zn2 Ag1 As1'
_cell_volume   71.59
_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  0.96  0.6  1.0
  Zn  Zn1  1  0.0  0.96  0.76  1.0
  Ag  Ag2  1  0.43  0.0  0.18  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Zn Zn Ag As
Zn Zn Ag As 0 1 o o o 0 3 o + + 2 3 o o o 2 3 + o o 