data_[Pm1Nd2Sc1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Nd  1.1400  1.8500  1.2765
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6481]
_cell_length_b [4.3640]
_cell_length_c [7.7081]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8850]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PmNd2ScTe4]
_chemical_formula_sum '[Pm1 Nd2 Sc1 Te4]'
_cell_volume [243.4211]
_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
  Nd  Nd1  1  0.0000  0.5000  0.5000  1
  Nd  Nd2  1  0.5000  0.0000  0.5000  1
  Sc  Sc3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.2329  0.5000  0.2314  1
  Te  Te5  2  0.2427  0.0000  0.7606  1
]