data_[La1Pr1Tm2Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0579]
_cell_length_b [4.0582]
_cell_length_c [7.4539]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2907]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaPr(TmSe2)2]
_chemical_formula_sum '[La1 Pr1 Tm2 Se4]'
_cell_volume [202.7088]
_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
[
  La  La0  1  0.5000  0.5000  0.0000  1
  Pr  Pr1  1  0.0000  0.0000  0.0000  1
  Tm  Tm2  1  0.0000  0.5000  0.5000  1
  Tm  Tm3  1  0.5000  0.0000  0.5000  1
  Se  Se4  2  0.2407  0.0000  0.7251  1
  Se  Se5  2  0.2577  0.5000  0.2741  1
]