data_Sr2CaLa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   3.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaLa
_chemical_formula_sum   'Sr2 Ca1 La1'
_cell_volume   185.75
_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
  Sr  Sr2  1  0.01  0.07  0.97  1.0
  Sr  Sr3  1  0.01  0.93  0.97  1.0
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  La  La1  1  0.03  0.0  0.0  1.0

data_Sr2CaLa
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   110.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaLa
_chemical_formula_sum   'Sr2 Ca1 La1'
_cell_volume   185.75
_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
  Sr  Sr0  1  0.97  0.01  0.07  1.0
  Sr  Sr1  1  0.97  0.01  0.93  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  La  La3  1  -0.0  0.03  0.0  1.0

Sr Sr Ca La