data_Sr2LaMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76
_cell_length_b   6.76
_cell_length_c   6.76
_cell_angle_alpha   145.98
_cell_angle_beta   125.59
_cell_angle_gamma   65.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaMn
_chemical_formula_sum   'Sr2 La1 Mn1'
_cell_volume   138.71
_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  Sr2  1  0.0  0.09  0.07  1.0
  Sr  Sr3  1  0.0  0.0  0.96  1.0
  La  La0  1  0.0  0.09  0.04  1.0
  Mn  Mn1  1  0.0  0.0  0.96  1.0

data_Sr2LaMn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   6.18
_cell_length_c   6.76
_cell_angle_alpha   117.21
_cell_angle_beta   107.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaMn
_chemical_formula_sum   'Sr2 La1 Mn1'
_cell_volume   138.71
_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  0.04  0.04  0.04  1.0
  Sr  Sr1  1  0.93  0.02  0.02  1.0
  La  La2  1  0.96  0.05  0.05  1.0
  Mn  Mn3  1  0.04  0.04  0.04  1.0

Sr Sr La Mn 0 2 o o o 1 3 o o o 