data_[Ce1Sm4Er7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sm  1.1700  1.8500  1.2290
  Er  1.2400  1.7500  1.0300
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5396]
_cell_length_b [6.8053]
_cell_length_c [9.0120]
_cell_angle_alpha [84.4708]
_cell_angle_beta [76.7969]
_cell_angle_gamma [81.3057]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeSm4Er7]
_chemical_formula_sum '[Ce1 Sm4 Er7]'
_cell_volume [385.1833]
_cell_formula_units_Z [1]
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
[
  Ce  Ce0  1  0.0000  0.0000  0.0000  1
  Sm  Sm1  2  0.1656  0.6138  0.3108  1
  Sm  Sm2  2  0.3581  0.1907  0.7157  1
  Er  Er3  2  0.1881  0.1049  0.3840  1
  Er  Er4  2  0.3200  0.6995  0.6428  1
  Er  Er5  2  0.4883  0.2481  0.0490  1
  Er  Er6  1  0.0000  0.5000  0.0000  1
]