data_ZnInAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   141.7
_cell_angle_beta   141.7
_cell_angle_gamma   55.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnInAs
_chemical_formula_sum   'Zn1 In1 As1'
_cell_volume   64.68
_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  0.0  0.59  1.0
  In  In1  1  0.0  0.0  0.54  1.0
  As  As0  1  0.0  0.0  0.48  1.0

data_ZnInAs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   117.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnInAs
_chemical_formula_sum   'Zn2 In2 As2'
_cell_volume   129.36
_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
  Zn  Zn0  2  0.0  0.0  0.41  1.0
  In  In1  2  0.0  0.0  0.46  1.0
  As  As2  2  0.0  0.0  0.52  1.0

Zn In As
Zn In As 0 1 o o o 1 2 o o o 