data_[Ce2Sc1U1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sc  1.3600  1.6000  0.8850
  U  1.3800  1.7500  0.9913
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.8632]
_cell_length_b [3.9707]
_cell_length_c [6.8907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3450]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce2ScUP4]
_chemical_formula_sum '[Ce2 Sc1 U1 P4]'
_cell_volume [177.1806]
_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
[
  Ce  Ce0  1  0.0000  0.5000  0.5000  1
  Ce  Ce1  1  0.5000  0.0000  0.5000  1
  Sc  Sc2  1  0.5000  0.5000  0.0000  1
  U  U3  1  0.0000  0.0000  0.0000  1
  P  P4  2  0.2497  0.5000  0.2343  1
  P  P5  2  0.2589  0.0000  0.7679  1
]