data_SrLa2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   149.13
_cell_angle_beta   133.67
_cell_angle_gamma   56.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Mo
_chemical_formula_sum   'Sr1 La2 Mo1'
_cell_volume   129.71
_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  Sr3  1  0.0  0.0  0.74  1.0
  La  La0  1  0.88  0.0  0.06  1.0
  La  La1  1  0.0  0.0  0.97  1.0
  Mo  Mo2  1  0.88  0.0  0.87  1.0

data_SrLa2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.56
_cell_length_c   7.06
_cell_angle_alpha   113.17
_cell_angle_beta   105.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrLa2Mo
_chemical_formula_sum   'Sr1 La2 Mo1'
_cell_volume   129.71
_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  0.26  0.26  0.26  1.0
  La  La1  1  0.03  0.03  0.03  1.0
  La  La2  1  0.82  0.94  0.82  1.0
  Mo  Mo3  1  0.01  0.13  0.01  1.0

Sr La La Mo