data_CaLaFe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   6.21
_cell_angle_alpha   146.72
_cell_angle_beta   135.81
_cell_angle_gamma   56.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaFe2
_chemical_formula_sum   'Ca1 La1 Fe2'
_cell_volume   90.99
_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
  Ca  Ca0  1  0.0  0.0  0.41  1.0
  La  La3  1  0.78  0.0  0.38  1.0
  Fe  Fe1  1  0.78  0.0  0.57  1.0
  Fe  Fe2  1  0.0  0.0  0.06  1.0

data_CaLaFe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   4.67
_cell_length_c   6.21
_cell_angle_alpha   112.09
_cell_angle_beta   106.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaFe2
_chemical_formula_sum   'Ca1 La1 Fe2'
_cell_volume   90.99
_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
  Ca  Ca0  1  0.0  0.41  0.41  1.0
  La  La1  1  0.0  0.38  0.6  1.0
  Fe  Fe2  1  0.0  0.06  0.06  1.0
  Fe  Fe3  1  0.0  0.57  0.8  1.0

Ca La Fe Fe