data_[Pm4Te1Se2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3416]
_cell_length_b [4.1989]
_cell_length_c [7.3839]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1429]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4TeSe2S]
_chemical_formula_sum '[Pm4 Te1 Se2 S1]'
_cell_volume [215.0369]
_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
[
  Pm  Pm0  2  0.2406  0.5000  0.2220  1
  Pm  Pm1  2  0.2587  0.0000  0.7814  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Se  Se3  1  0.5000  0.0000  0.5000  1
  Se  Se4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.0000  0.0000  0.0000  1
]