data_InAg2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.21
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2As
_chemical_formula_sum   'In1 Ag2 As1'
_cell_volume   80.32
_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
  In  In3  1  0.62  0.1  0.45  1.0
  Ag  Ag0  1  0.0  0.0  0.07  1.0
  Ag  Ag1  1  0.62  0.1  0.48  1.0
  As  As2  1  0.0  0.0  0.84  1.0

data_InAg2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.21
_cell_length_c   5.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InAg2As
_chemical_formula_sum   'In1 Ag2 As1'
_cell_volume   80.32
_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
  In  In0  1  0.62  0.1  0.45  1.0
  Ag  Ag1  1  0.0  0.0  0.07  1.0
  Ag  Ag2  1  0.62  0.1  0.48  1.0
  As  As3  1  0.0  0.0  0.84  1.0

In Ag Ag As
In Ag Ag As 0 2 o o o 1 3 o o - 