data_[Li1Y1As2O7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Y  1.2200  1.8000  1.0400
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1437]
_cell_length_b [5.7194]
_cell_length_c [5.7451]
_cell_angle_alpha [103.6449]
_cell_angle_beta [98.7787]
_cell_angle_gamma [96.8672]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiYAs2O7]
_chemical_formula_sum '[Li1 Y1 As2 O7]'
_cell_volume [160.1750]
_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  0.3353  0.2468  0.7888  1.0
  Y  Y1  1  0.5076  0.6290  0.3692  1.0
  As  As2  1  0.1059  0.7522  0.8174  1.0
  As  As3  1  0.9256  0.1706  0.2460  1.0
  O  O4  1  0.0770  0.0536  0.9891  1.0
  O  O5  1  0.2008  0.3377  0.4517  1.0
  O  O6  1  0.2648  0.5940  0.9960  1.0
  O  O7  1  0.3046  0.8662  0.6434  1.0
  O  O8  1  0.6984  0.3332  0.1432  1.0
  O  O9  1  0.7839  0.9393  0.3420  1.0
  O  O10  1  0.7961  0.6016  0.6888  1.0
]