data_[Y1Tm2Sc1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Tm  1.2500  1.7500  1.0950
  Sc  1.3600  1.6000  0.8850
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.9461]
_cell_length_b [3.9559]
_cell_length_c [6.9831]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1034]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [YTm2ScSe4]
_chemical_formula_sum '[Y1 Tm2 Sc1 Se4]'
_cell_volume [181.3147]
_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
[
  Y  Y0  1  0.5000  0.5000  0.0000  1.0
  Tm  Tm1  1  0.0000  0.0000  0.0000  1.0
  Tm  Tm2  1  0.0000  0.5000  0.5000  1.0
  Sc  Sc3  1  0.5000  0.0000  0.5000  1.0
  Se  Se4  2  0.2488  0.0000  0.7427  1.0
  Se  Se5  2  0.2540  0.5000  0.2582  1.0
]