data_CaLaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   148.38
_cell_angle_beta   130.28
_cell_angle_gamma   60.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCr2
_chemical_formula_sum   'Ca1 La1 Cr2'
_cell_volume   89.82
_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  0.12  1.0
  La  La3  1  0.66  0.0  0.09  1.0
  Cr  Cr1  1  0.66  0.0  0.61  1.0
  Cr  Cr2  1  0.0  0.0  0.01  1.0

data_CaLaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.13
_cell_length_c   6.1
_cell_angle_alpha   114.86
_cell_angle_beta   105.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaLaCr2
_chemical_formula_sum   'Ca1 La1 Cr2'
_cell_volume   89.82
_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  0.88  0.88  0.88  1.0
  La  La1  1  0.57  0.91  0.57  1.0
  Cr  Cr2  1  0.05  0.39  0.05  1.0
  Cr  Cr3  1  0.99  0.99  0.99  1.0

Ca La Cr Cr