data_Ca2La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.08
_cell_length_b   9.88
_cell_length_c   3.6
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La
_chemical_formula_sum   'Ca4 La2'
_cell_volume   287.52
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.62  0.63  0.0  1.0
  Ca  Ca1  1  0.46  0.25  0.0  1.0
  Ca  Ca2  1  0.66  0.19  0.8  1.0
  Ca  Ca3  1  0.42  0.69  0.8  1.0
  La  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.04  0.94  0.8  1.0

data_Ca2La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   8.08
_cell_length_c   9.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2La
_chemical_formula_sum   'Ca4 La2'
_cell_volume   287.52
_cell_formula_units_Z   2
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
  Ca  Ca0  1  -0.0  0.46  0.25  1.0
  Ca  Ca1  1  -0.0  0.62  0.63  1.0
  Ca  Ca2  1  0.8  0.42  0.69  1.0
  Ca  Ca3  1  0.8  0.66  0.19  1.0
  La  La4  1  0.0  0.0  0.0  1.0
  La  La5  1  0.8  0.04  0.94  1.0

Ca Ca Ca Ca La La
Ca Ca Ca Ca La La 0 3 o o - 1 2 o o - 4 5 o - - 