data_[Pa2Mo2P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9229]
_cell_length_b [3.4004]
_cell_length_c [3.2616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.0948]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PaMoP2]
_chemical_formula_sum '[Pa2 Mo2 P4]'
_cell_volume [142.2257]
_cell_formula_units_Z [2]
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  2  0.3582  0.0000  0.2009  1
  Mo  Mo1  2  0.1152  0.0000  0.3267  1
  P  P2  2  0.1933  0.5000  0.8489  1
  P  P3  2  0.4725  0.5000  0.7587  1
]