data_[Pa1Zn1S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4077]
_cell_length_b [3.9377]
_cell_length_c [6.4717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [PaZnS4]
_chemical_formula_sum '[Pa1 Zn1 S4]'
_cell_volume [159.2817]
_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  1  0.5000  0.5000  0.0000  1
  Zn  Zn1  1  0.0000  0.0000  0.0000  1
  S  S2  2  0.1676  0.5000  0.1979  1
  S  S3  2  0.3249  0.0000  0.7553  1
]