data_[Pm1Er1Tl2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Er  1.2400  1.7500  1.0300
  Tl  1.6200  1.9000  1.3325
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0571]
_cell_length_b [4.0717]
_cell_length_c [7.8734]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3524]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PmEr(TlS2)2]
_chemical_formula_sum '[Pm1 Er1 Tl2 S4]'
_cell_volume [215.9403]
_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  1  0.5000  0.5000  0.0000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Tl  Tl2  1  0.0000  0.5000  0.5000  1
  Tl  Tl3  1  0.5000  0.0000  0.5000  1
  S  S4  2  0.2245  0.5000  0.1976  1
  S  S5  2  0.2581  0.0000  0.7989  1
]