data_[Sm2Er10In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [7.9053]
_cell_length_b [11.4280]
_cell_length_c [6.1718]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [SmEr5In]
_chemical_formula_sum '[Sm2 Er10 In2]'
_cell_volume [557.5738]
_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
[
  Sm  Sm0  2  0.0000  0.0000  0.1757  1
  Er  Er1  4  0.0000  0.2531  0.7716  1
  Er  Er2  4  0.1860  0.0000  0.6745  1
  Er  Er3  2  0.0000  0.5000  0.4641  1
  In  In4  2  0.0000  0.5000  0.9373  1
]