data_[Pm4Er4Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4567]
_cell_length_b [3.9192]
_cell_length_c [11.5923]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.3095]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PmErBr3]
_chemical_formula_sum '[Pm4 Er4 Br12]'
_cell_volume [692.6339]
_cell_formula_units_Z [4]
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
[
  Pm  Pm0  4  0.1375  0.0000  0.2852  1
  Er  Er1  4  0.0708  0.5000  0.9587  1
  Br  Br2  4  0.0353  0.0000  0.7504  1
  Br  Br3  4  0.1648  0.5000  0.5082  1
  Br  Br4  4  0.2104  0.0000  0.1155  1
]