data_[Ca2U1Pa1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  U  1.3800  1.7500  0.9913
  Pa  1.5000  1.8000  1.0400
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0051]
_cell_length_b [4.0464]
_cell_length_c [7.0489]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3915]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2UPaP4]
_chemical_formula_sum '[Ca2 U1 Pa1 P4]'
_cell_volume [188.4725]
_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
[
  Ca  Ca0  1  0.0000  0.5000  0.5000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  U  U2  1  0.0000  0.0000  0.0000  1
  Pa  Pa3  1  0.5000  0.5000  0.0000  1
  P  P4  2  0.2432  0.5000  0.2289  1
  P  P5  2  0.2572  0.0000  0.7702  1
]