data_[Sr1Pr2Th1As4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Pr  1.1300  1.8500  1.0600
  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 [7.4982]
_cell_length_b [4.3361]
_cell_length_c [7.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1644]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrPr2ThAs4]
_chemical_formula_sum '[Sr1 Pr2 Th1 As4]'
_cell_volume [230.5335]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.5000  1
  Pr  Pr1  1  0.5000  0.0000  0.5000  1
  Pr  Pr2  1  0.5000  0.5000  0.0000  1
  Th  Th3  1  0.0000  0.0000  0.0000  1
  As  As4  2  0.2478  0.5000  0.2414  1
  As  As5  2  0.2535  0.0000  0.7622  1
]