data_[Li4Ca4La4]
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
  La  1.1000  1.9500  1.1720
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.6950]
_cell_length_b [3.6736]
_cell_length_c [9.1712]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCaLa]
_chemical_formula_sum '[Li4 Ca4 La4]'
_cell_volume [395.6724]
_cell_formula_units_Z [4]
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  2  0.0935  0.0000  0.1440  1
  Li  Li1  2  0.4835  0.0000  0.2846  1
  Ca  Ca2  2  0.3029  0.5000  0.4133  1
  Ca  Ca3  2  0.4509  0.0000  0.8143  1
  La  La4  2  0.1365  0.0000  0.6351  1
  La  La5  2  0.2615  0.5000  0.9875  1
]