data_[Ce2Re2H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.1602]
_cell_length_b [5.3658]
_cell_length_c [5.7844]
_cell_angle_alpha [78.4794]
_cell_angle_beta [87.4148]
_cell_angle_gamma [75.5661]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CeReH]
_chemical_formula_sum '[Ce2 Re2 H2]'
_cell_volume [93.0732]
_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  0.2182  0.7054  0.2346  1
  Re  Re1  2  0.2375  0.1434  0.3280  1
  H  H2  2  0.2472  0.3442  0.0492  1
]