data_[Pm6Er2Te12]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.4127]
_cell_length_b [8.2365]
_cell_length_c [13.3690]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.6473]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pm3ErTe6]
_chemical_formula_sum '[Pm6 Er2 Te12]'
_cell_volume [687.2750]
_cell_formula_units_Z [2]
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  4  0.1939  0.6203  0.2461  1
  Pm  Pm1  2  0.5000  0.0000  0.5000  1
  Er  Er2  2  0.0000  0.0000  0.0000  1
  Te  Te3  4  0.0790  0.6787  0.9217  1
  Te  Te4  4  0.2547  0.1725  0.9195  1
  Te  Te5  4  0.4090  0.5518  0.7444  1
]