data_Sr2LaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.77
_cell_length_b   6.77
_cell_length_c   6.77
_cell_angle_alpha   137.53
_cell_angle_beta   137.53
_cell_angle_gamma   61.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaCu
_chemical_formula_sum   'Sr2 La1 Cu1'
_cell_volume   139.95
_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  0.45  0.91  1.0
  Sr  Sr3  1  0.45  0.0  0.91  1.0
  La  La1  1  0.0  0.0  0.82  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Sr2LaCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.94
_cell_length_b   6.94
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   120.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2LaCu
_chemical_formula_sum   'Sr4 La2 Cu2'
_cell_volume   279.9
_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  0.27  0.27  0.45  1.0
  La  La1  2  0.0  0.0  0.82  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0

Sr Sr La Cu
Sr Sr La Cu 0 1 - o - 0 1 o o o 0 1 o + + 0 3 o + + 0 2 o o o 1 2 o o o 1 3 + o + 2 3 o o + 