data_Sr2LaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   132.47
_cell_angle_beta   132.47
_cell_angle_gamma   69.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaMn
_chemical_formula_sum   'Sr2 La1 Mn1'
_cell_volume   139.88
_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  0.58  0.0  0.63  1.0
  Sr  Sr3  1  0.0  0.58  0.63  1.0
  La  La0  1  0.0  0.0  0.26  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0

data_Sr2LaMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.29
_cell_length_b   7.29
_cell_length_c   6.4
_cell_angle_alpha   90.0
_cell_angle_beta   124.74
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2LaMn
_chemical_formula_sum   'Sr4 La2 Mn2'
_cell_volume   279.76
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.21  0.21  0.05  1.0
  La  La1  2  0.0  0.0  0.26  1.0
  Mn  Mn2  2  0.0  0.0  0.0  1.0

Sr Sr La Mn