data_[Zr1In2Sb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [3.2470]
_cell_length_b [5.7334]
_cell_length_c [5.2610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.4020]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [ZrIn2Sb]
_chemical_formula_sum '[Zr1 In2 Sb1]'
_cell_volume [97.8555]
_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  0.5000  0.5000  0.5000  1
  In  In1  2  0.2346  0.0000  0.2573  1
  Sb  Sb2  1  0.0000  0.5000  0.0000  1
]