data_[Ca2Sm6Dy12Er4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Sm  1.1700  1.8500  1.2290
  Dy  1.2200  1.7500  1.1310
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.2075]
_cell_length_b [10.7512]
_cell_length_c [11.8410]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0374]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaSm3(Dy3Er)2]
_chemical_formula_sum '[Ca2 Sm6 Dy12 Er4]'
_cell_volume [778.1495]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.0000  1
  Sm  Sm1  4  0.0000  0.1656  0.5000  1
  Sm  Sm2  2  0.0000  0.5000  0.5000  1
  Dy  Dy3  8  0.2461  0.3301  0.7498  1
  Dy  Dy4  4  0.2444  0.5000  0.2503  1
  Er  Er5  4  0.0000  0.3334  0.0000  1
]