data_[La1Pa2Mn1S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.1476]
_cell_length_b [8.1038]
_cell_length_c [6.3498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4732]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LaPa2MnS8]
_chemical_formula_sum '[La1 Pa2 Mn1 S8]'
_cell_volume [315.3768]
_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
[
  La  La0  1  0.0000  0.5000  0.0000  1
  Pa  Pa1  2  0.5000  0.2405  0.5000  1
  Mn  Mn2  1  0.0000  0.0000  0.0000  1
  S  S3  4  0.2134  0.2097  0.1677  1
  S  S4  2  0.2885  0.0000  0.6638  1
  S  S5  2  0.2955  0.5000  0.6582  1
]