data_[Pa1Mn2Si1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [5.2971]
_cell_length_b [5.2971]
_cell_length_c [4.7379]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [PaMn2SiO6]
_chemical_formula_sum '[Pa1 Mn2 Si1 O6]'
_cell_volume [132.9445]
_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  0.5648  1
  Mn  Mn1  2  0.0000  0.5000  0.9959  1
  Si  Si2  1  0.0000  0.0000  0.6083  1
  O  O3  4  0.2255  0.2255  0.7247  1
  O  O4  1  0.0000  0.0000  0.2626  1
  O  O5  1  0.5000  0.5000  0.1203  1
]