data_[Pm4Sb1Te1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sb  2.0500  1.4500  0.8300
  Te  2.1000  1.4000  1.2933
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5090]
_cell_length_b [4.3206]
_cell_length_c [7.5560]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4SbTeSe2]
_chemical_formula_sum '[Pm4 Sb1 Te1 Se2]'
_cell_volume [231.5610]
_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  0.2502  0.0000  0.7311  1
  Pm  Pm1  2  0.2654  0.5000  0.2750  1
  Sb  Sb2  1  0.5000  0.5000  0.0000  1
  Te  Te3  1  0.0000  0.0000  0.0000  1
  Se  Se4  1  0.0000  0.5000  0.5000  1
  Se  Se5  1  0.5000  0.0000  0.5000  1
]