data_[Li1Ca2In1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  In  1.7800  1.5500  0.9400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.5840]
_cell_length_b [3.3721]
_cell_length_c [5.6597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6941]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCa2InO4]
_chemical_formula_sum '[Li1 Ca2 In1 O4]'
_cell_volume [101.5311]
_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  0.0000  0.0000  0.0000  1
  Ca  Ca1  1  0.5000  0.0000  0.5000  1
  Ca  Ca2  1  0.5000  0.5000  0.0000  1
  In  In3  1  0.0000  0.5000  0.5000  1
  O  O4  2  0.2342  0.0000  0.7476  1
  O  O5  2  0.2448  0.5000  0.2644  1
]