data_[Pa4Ge2As1S1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  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 [7.0055]
_cell_length_b [4.0885]
_cell_length_c [7.0665]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7121]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pa4Ge2AsS]
_chemical_formula_sum '[Pa4 Ge2 As1 S1]'
_cell_volume [190.5403]
_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
[
  Pa  Pa0  2  0.2546  0.0000  0.7455  1
  Pa  Pa1  2  0.2589  0.5000  0.2588  1
  Ge  Ge2  1  0.0000  0.0000  0.0000  1
  Ge  Ge3  1  0.0000  0.5000  0.5000  1
  As  As4  1  0.5000  0.5000  0.0000  1
  S  S5  1  0.5000  0.0000  0.5000  1
]