data_[Pr4Ge1As2S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ge  2.0100  1.2500  0.7700
  As  2.1800  1.1500  0.6600
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4017]
_cell_length_b [4.2619]
_cell_length_c [7.4020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4GeAs2S]
_chemical_formula_sum '[Pr4 Ge1 As2 S1]'
_cell_volume [220.1991]
_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  2  0.2495  0.0000  0.7510  1.0
  Pr  Pr1  2  0.2497  0.5000  0.2516  1.0
  Ge  Ge2  1  0.0000  0.0000  0.0000  1.0
  As  As3  1  0.5000  0.0000  0.5000  1.0
  As  As4  1  0.5000  0.5000  0.0000  1.0
  S  S5  1  0.0000  0.5000  0.5000  1.0
]