data_Ca3La
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.75
_cell_length_b   6.75
_cell_length_c   3.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3La
_chemical_formula_sum   'Ca3 La1'
_cell_volume   163.64
_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  0.96  0.25  0.9  1.0
  Ca  Ca1  1  0.96  0.75  0.9  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  La  La3  1  0.91  0.0  0.0  1.0

data_Ca3La
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.8
_cell_length_b   6.75
_cell_length_c   6.75
_cell_angle_alpha   109.15
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3La
_chemical_formula_sum   'Ca3 La1'
_cell_volume   163.64
_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  0.0  1.0
  Ca  Ca1  1  0.9  0.96  0.25  1.0
  Ca  Ca2  1  0.9  0.96  0.75  1.0
  La  La3  1  0.0  0.91  0.0  1.0

Ca Ca Ca La