data_[Er4Zr2In6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.7486]
_cell_length_b [14.3948]
_cell_length_c [4.3369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er2ZrIn3]
_chemical_formula_sum '[Er4 Zr2 In6]'
_cell_volume [296.4533]
_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
[
  Er  Er0  4  0.0000  0.3342  0.0000  1.0
  Zr  Zr1  2  0.0000  0.0000  0.0000  1.0
  In  In2  4  0.0000  0.1617  0.5000  1.0
  In  In3  2  0.0000  0.5000  0.5000  1.0
]