data_[Ca2Ce1Np1P4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ce  1.1200  1.8500  1.0800
  Np  1.3600  1.7500  1.0000
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0436]
_cell_length_b [4.0945]
_cell_length_c [7.0957]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6364]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ca2CeNpP4]
_chemical_formula_sum '[Ca2 Ce1 Np1 P4]'
_cell_volume [192.7394]
_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  0.5000  0.0000  0.5000  1
  Ca  Ca1  1  0.5000  0.5000  0.0000  1
  Ce  Ce2  1  0.0000  0.0000  0.0000  1
  Np  Np3  1  0.0000  0.5000  0.5000  1
  P  P4  2  0.2267  0.0000  0.7357  1
  P  P5  2  0.2302  0.5000  0.2497  1
]