data_[Er12Cd10In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Cd  1.6900  1.5500  1.0900
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [5.2452]
_cell_length_b [15.7659]
_cell_length_c [7.4446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Er6Cd5In]
_chemical_formula_sum '[Er12 Cd10 In2]'
_cell_volume [615.6306]
_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  8  0.0000  0.1671  0.2515  1
  Er  Er1  4  0.0000  0.5000  0.2510  1
  Cd  Cd2  4  0.0000  0.3310  0.0000  1
  Cd  Cd3  4  0.0000  0.3339  0.5000  1
  Cd  Cd4  2  0.0000  0.0000  0.5000  1
  In  In5  2  0.0000  0.0000  0.0000  1
]