data_[Li1Ca2Rh1O4]
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
  Rh  2.2800  1.3500  0.7450
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.2852]
_cell_length_b [3.2860]
_cell_length_c [5.6075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.9401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [LiCa2RhO4]
_chemical_formula_sum '[Li1 Ca2 Rh1 O4]'
_cell_volume [91.5487]
_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  1.0
  Ca  Ca1  1  0.5000  0.0000  0.5000  1.0
  Ca  Ca2  1  0.5000  0.5000  0.0000  1.0
  Rh  Rh3  1  0.0000  0.5000  0.5000  1.0
  O  O4  2  0.2094  0.0000  0.7297  1.0
  O  O5  2  0.2326  0.5000  0.2502  1.0
]