data_[Sm4Er12Zr4]
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
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0215]
_cell_length_b [3.4461]
_cell_length_c [9.8202]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.9064]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmEr3Zr]
_chemical_formula_sum '[Sm4 Er12 Zr4]'
_cell_volume [586.5266]
_cell_formula_units_Z [4]
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  0.1023  0.0000  0.5577  1
  Er  Er1  4  0.0033  0.5000  0.7528  1
  Er  Er2  4  0.1059  0.0000  0.0460  1
  Er  Er3  4  0.2052  0.5000  0.3406  1
  Zr  Zr4  4  0.2056  0.5000  0.8646  1
]