data_[Zr4Pa8Mn4C16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.4059]
_cell_length_b [11.1041]
_cell_length_c [11.9189]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [ZrPa2MnC4]
_chemical_formula_sum '[Zr4 Pa8 Mn4 C16]'
_cell_volume [450.7655]
_cell_formula_units_Z [4]
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
[
  Zr  Zr0  4  0.0000  0.1154  0.7500  1
  Pa  Pa1  8  0.0000  0.3616  0.5486  1
  Mn  Mn2  4  0.0000  0.1489  0.2500  1
  C  C3  8  0.0000  0.2748  0.1410  1
  C  C4  4  0.0000  0.0000  0.0000  1
  C  C5  4  0.0000  0.4368  0.7500  1
]