data_[Li1Gd1As2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Gd  1.2000  1.8000  1.0750
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2079]
_cell_length_b [5.7561]
_cell_length_c [5.7994]
_cell_angle_alpha [103.9006]
_cell_angle_beta [98.5576]
_cell_angle_gamma [96.6753]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiGdAs2O7]
_chemical_formula_sum '[Li1 Gd1 As2 O7]'
_cell_volume [164.7747]
_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
[
  Li  Li0  1  0.3098  0.2425  0.7784  1.0
  Gd  Gd1  1  0.5097  0.6287  0.3686  1.0
  As  As2  1  0.1075  0.7537  0.8188  1.0
  As  As3  1  0.9298  0.1697  0.2475  1.0
  O  O4  1  0.0832  0.0545  0.9934  1.0
  O  O5  1  0.1999  0.3345  0.4536  1.0
  O  O6  1  0.2637  0.5927  0.9919  1.0
  O  O7  1  0.3015  0.8667  0.6445  1.0
  O  O8  1  0.7076  0.3336  0.1481  1.0
  O  O9  1  0.7873  0.9383  0.3389  1.0
  O  O10  1  0.8000  0.6095  0.6920  1.0
]