data_In2AgAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.44
_cell_length_b   5.44
_cell_length_c   5.44
_cell_angle_alpha   134.54
_cell_angle_beta   124.51
_cell_angle_gamma   74.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgAs
_chemical_formula_sum   'In2 Ag1 As1'
_cell_volume   92.07
_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  In2  1  0.0  0.53  0.22  1.0
  In  In3  1  0.1  0.0  0.11  1.0
  Ag  Ag0  1  0.0  0.0  0.33  1.0
  As  As1  1  0.0  0.0  0.0  1.0

data_In2AgAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.2
_cell_length_b   5.06
_cell_length_c   5.44
_cell_angle_alpha   117.75
_cell_angle_beta   112.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2AgAs
_chemical_formula_sum   'In2 Ag1 As1'
_cell_volume   92.07
_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  0.0  0.11  0.01  1.0
  In  In1  1  0.47  0.69  0.69  1.0
  Ag  Ag2  1  0.0  0.33  0.33  1.0
  As  As3  1  0.0  0.0  0.0  1.0

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