data_[Er6Tm4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1501]
_cell_length_b [8.1033]
_cell_length_c [6.9144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3906]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er3(TmSe4)2]
_chemical_formula_sum '[Er6 Tm4 Se16]'
_cell_volume [747.8529]
_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
[
  Er  Er0  4  0.0000  0.2610  0.0000  1
  Er  Er1  2  0.0000  0.0000  0.5000  1
  Tm  Tm2  4  0.2431  0.5000  0.6632  1
  Se  Se3  8  0.1238  0.2403  0.4141  1
  Se  Se4  4  0.1191  0.5000  0.9039  1
  Se  Se5  4  0.1191  0.0000  0.9234  1
]