data_[Ce2Cu2P2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9141]
_cell_length_b [3.9141]
_cell_length_c [7.8664]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [CeCuPH]
_chemical_formula_sum '[Ce2 Cu2 P2 H2]'
_cell_volume [120.5158]
_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
[
  Ce  Ce0  2  0.0000  0.5000  0.3241  1.0
  Cu  Cu1  2  0.0000  0.0000  0.0000  1.0
  P  P2  2  0.0000  0.5000  0.8166  1.0
  H  H3  2  0.0000  0.0000  0.5000  1.0
]