data_[Pr1Er2Th1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Th  1.3000  1.8000  1.0800
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.2161]
_cell_length_b [4.1908]
_cell_length_c [7.2549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5006]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PrEr2ThAs4]
_chemical_formula_sum '[Pr1 Er2 Th1 As4]'
_cell_volume [206.8116]
_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
[
  Pr  Pr0  1  0.5000  0.5000  0.0000  1
  Er  Er1  1  0.0000  0.0000  0.0000  1
  Er  Er2  1  0.0000  0.5000  0.5000  1
  Th  Th3  1  0.5000  0.0000  0.5000  1
  As  As4  2  0.2380  0.0000  0.7431  1
  As  As5  2  0.2389  0.5000  0.2485  1
]