data_[Ca8La4P6H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.5165]
_cell_length_b [4.5165]
_cell_length_c [23.5160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca4La2P3H2]
_chemical_formula_sum '[Ca8 La4 P6 H4]'
_cell_volume [479.6948]
_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
[
  Ca  Ca0  8  0.0000  0.5000  0.0789  1.0
  La  La1  4  0.0000  0.0000  0.2977  1.0
  P  P2  4  0.0000  0.0000  0.1686  1.0
  P  P3  2  0.0000  0.0000  0.0000  1.0
  H  H4  4  0.0000  0.0000  0.4043  1.0
]