data_[Sm6Y8In2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [11.3484]
_cell_length_b [7.1317]
_cell_length_c [6.2394]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Sm3Y4In]
_chemical_formula_sum '[Sm6 Y8 In2]'
_cell_volume [504.9691]
_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  4  0.2405  0.6135  0.9705  1.0
  Sm  Sm1  2  0.0000  0.6270  0.6298  1.0
  Y  Y2  4  0.2390  0.1250  0.9936  1.0
  Y  Y3  2  0.0000  0.1303  0.6423  1.0
  Y  Y4  2  0.0000  0.8720  0.1642  1.0
  In  In5  2  0.0000  0.3659  0.1508  1.0
]