data_[Pm2Th1Sc1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Sc  1.3600  1.6000  0.8850
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.1827]
_cell_length_b [4.1778]
_cell_length_c [7.2375]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4552]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pm2ThScAs4]
_chemical_formula_sum '[Pm2 Th1 Sc1 As4]'
_cell_volume [204.7818]
_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  0.0000  0.5000  0.5000  1
  Pm  Pm1  1  0.5000  0.0000  0.5000  1
  Th  Th2  1  0.5000  0.5000  0.0000  1
  Sc  Sc3  1  0.0000  0.0000  0.0000  1
  As  As4  2  0.2358  0.5000  0.2354  1
  As  As5  2  0.2424  0.0000  0.7569  1
]