data_[Er2Tm2Br10]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [17.6134]
_cell_length_b [3.7418]
_cell_length_c [19.4859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [ErTmBr5]
_chemical_formula_sum '[Er2 Tm2 Br10]'
_cell_volume [1284.2267]
_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  2  0.2500  0.0000  0.0103  1
  Tm  Tm1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.0453  0.0000  0.0965  1
  Br  Br3  4  0.1499  0.5000  0.9410  1
  Br  Br4  2  0.2500  0.5000  0.1151  1
]