data_[Tm4Te2P1Se1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Te  2.1000  1.4000  1.2933
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1023]
_cell_length_b [4.0963]
_cell_length_c [7.3385]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7633]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Tm4Te2PSe]
_chemical_formula_sum '[Tm4 Te2 P1 Se1]'
_cell_volume [202.1522]
_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
[
  Tm  Tm0  2  0.2514  0.0000  0.7119  1.0
  Tm  Tm1  2  0.2768  0.5000  0.2923  1.0
  Te  Te2  1  0.0000  0.0000  0.0000  1.0
  Te  Te3  1  0.5000  0.5000  0.0000  1.0
  P  P4  1  0.5000  0.0000  0.5000  1.0
  Se  Se5  1  0.0000  0.5000  0.5000  1.0
]