data_[Ce4Sm2Er6As12]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.0949]
_cell_length_b [4.1653]
_cell_length_c [8.3162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0537]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Sm(ErAs2)3]
_chemical_formula_sum '[Ce4 Sm2 Er6 As12]'
_cell_volume [610.6060]
_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
[
  Ce  Ce0  4  0.1661  0.0000  0.3321  1.0
  Sm  Sm1  2  0.0000  0.5000  0.0000  1.0
  Er  Er2  4  0.1661  0.0000  0.8340  1.0
  Er  Er3  2  0.0000  0.5000  0.5000  1.0
  As  As4  4  0.0012  0.0000  0.7448  1.0
  As  As5  4  0.1652  0.5000  0.5872  1.0
  As  As6  4  0.1686  0.5000  0.0799  1.0
]