data_[Y4Zr2In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.1888]
_cell_length_b [3.4204]
_cell_length_c [5.7554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4185]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Y2ZrIn]
_chemical_formula_sum '[Y4 Zr2 In2]'
_cell_volume [215.1066]
_cell_formula_units_Z [2]
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
[
  Y  Y0  4  0.2439  0.5000  0.7501  1
  Zr  Zr1  2  0.0000  0.5000  0.0000  1
  In  In2  2  0.0000  0.0000  0.5000  1
]