data_[Pm4Sn1Ge1Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4722]
_cell_length_b [4.2817]
_cell_length_c [7.4892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1908]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm4SnGeSe2]
_chemical_formula_sum '[Pm4 Sn1 Ge1 Se2]'
_cell_volume [226.2917]
_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  0.2399  0.5000  0.2447  1
  Pm  Pm1  2  0.2404  0.0000  0.7467  1
  Sn  Sn2  1  0.5000  0.5000  0.0000  1
  Ge  Ge3  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
]