data_Zr2InAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.75
_cell_angle_alpha   112.56
_cell_angle_beta   112.56
_cell_angle_gamma   35.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InAs
_chemical_formula_sum   'Zr2 In1 As1'
_cell_volume   85.48
_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
  Zr  Zr2  1  0.95  0.0  0.11  1.0
  Zr  Zr3  1  0.22  0.0  0.98  1.0
  In  In1  1  0.03  0.0  0.96  1.0
  As  As0  1  0.62  0.0  0.48  1.0

data_Zr2InAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.75
_cell_length_c   5.82
_cell_angle_alpha   112.56
_cell_angle_beta   107.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InAs
_chemical_formula_sum   'Zr2 In1 As1'
_cell_volume   85.48
_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
  Zr  Zr0  1  0.0  0.11  0.95  1.0
  Zr  Zr1  1  0.0  0.98  0.22  1.0
  In  In2  1  0.0  0.96  0.03  1.0
  As  As3  1  0.0  0.48  0.62  1.0

Zr Zr In As