data_[Na1Ca2La1O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  La  1.1000  1.9500  1.1720
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9105]
_cell_length_b [3.5460]
_cell_length_c [6.0231]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaCa2LaO4]
_chemical_formula_sum '[Na1 Ca2 La1 O4]'
_cell_volume [120.2534]
_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
[
  Na  Na0  1  0.0000  0.0000  0.0000  1
  Ca  Ca1  1  0.0000  0.5000  0.5000  1
  Ca  Ca2  1  0.5000  0.0000  0.5000  1
  La  La3  1  0.5000  0.5000  0.0000  1
  O  O4  2  0.2553  0.0000  0.7466  1
  O  O5  2  0.2708  0.5000  0.2664  1
]