data_InSiAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   148.35
_cell_angle_beta   148.35
_cell_angle_gamma   45.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InSiAs
_chemical_formula_sum   'In1 Si1 As1'
_cell_volume   64.53
_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  In1  1  0.0  0.0  0.72  1.0
  Si  Si2  1  0.0  0.0  0.18  1.0
  As  As0  1  0.0  0.0  0.49  1.0

data_InSiAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.76
_cell_length_b   4.76
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   112.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InSiAs
_chemical_formula_sum   'In2 Si2 As2'
_cell_volume   129.05
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.22  0.5  0.72  1.0
  Si  Si1  2  0.18  0.0  0.18  1.0
  As  As2  2  0.49  0.0  0.49  1.0

In Si As
In Si As 0 2 o o o 1 2 o o o 