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 [18.0080]
_cell_length_b [3.6627]
_cell_length_c [6.0835]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7437]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LiCaLa]
_chemical_formula_sum '[Li4 Ca4 La4]'
_cell_volume [399.2396]
_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  0.0653  0.0000  0.4917  1.0
  Li  Li1  2  0.4400  0.5000  0.1131  1.0
  Ca  Ca2  2  0.0926  0.5000  0.9985  1.0
  Ca  Ca3  2  0.2864  0.0000  0.0649  1.0
  La  La4  2  0.2292  0.5000  0.5466  1.0
  La  La5  2  0.4076  0.0000  0.6033  1.0
]