data_[Sm2Y14Er4]
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
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.1705]
_cell_length_b [29.7072]
_cell_length_c [3.5195]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmY7Er2]
_chemical_formula_sum '[Sm2 Y14 Er4]'
_cell_volume [645.0976]
_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  0.0000  1
  Y  Y1  8  0.2446  0.6009  0.7730  1
  Y  Y2  4  0.0000  0.2917  0.0000  1
  Y  Y3  2  0.0000  0.5000  0.5000  1
  Er  Er4  4  0.0000  0.1916  0.5000  1
]