data_[Sr3Er12Tm3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [R3m]
_cell_length_a [8.4644]
_cell_length_b [8.4644]
_cell_length_c [20.7113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SrEr4TmSe8]
_chemical_formula_sum '[Sr3 Er12 Tm3 Se24]'
_cell_volume [1285.0889]
_cell_formula_units_Z [3]
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
[
  Sr  Sr0  3  0.0000  0.0000  0.3751  1
  Er  Er1  9  0.1691  0.3383  0.8327  1
  Er  Er2  3  0.0000  0.0000  0.6249  1
  Tm  Tm3  3  0.0000  0.0000  0.0020  1
  Se  Se4  9  0.0379  0.5189  0.7543  1
  Se  Se5  9  0.1772  0.3544  0.5812  1
  Se  Se6  3  0.0000  0.0000  0.2360  1
  Se  Se7  3  0.0000  0.0000  0.7574  1
]