data_[Er1Tm1Se2Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9941]
_cell_length_b [5.5960]
_cell_length_c [8.2271]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [ErTm(SeCl)2]
_chemical_formula_sum '[Er1 Tm1 Se2 Cl2]'
_cell_volume [183.8862]
_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
[
  Er  Er0  1  0.0000  0.5000  0.8589  1
  Tm  Tm1  1  0.5000  0.0000  0.1411  1
  Se  Se2  1  0.0000  0.0000  0.8952  1
  Se  Se3  1  0.5000  0.5000  0.1068  1
  Cl  Cl4  1  0.0000  0.0000  0.3493  1
  Cl  Cl5  1  0.5000  0.5000  0.6487  1
]