data_Na2SrCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18
_cell_length_b   6.18
_cell_length_c   6.18
_cell_angle_alpha   49.35
_cell_angle_beta   49.35
_cell_angle_gamma   49.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Na2SrCu
_chemical_formula_sum   'Na2 Sr1 Cu1'
_cell_volume   125.04
_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
  Na  Na1  1  0.0  0.0  0.21  1.0
  Na  Na2  1  0.0  0.0  0.5  1.0
  Sr  Sr3  1  0.0  0.0  0.96  1.0
  Cu  Cu0  1  0.0  0.0  0.52  1.0

data_Na2SrCu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.94
_cell_length_b   5.16
_cell_length_c   6.18
_cell_angle_alpha   90.0
_cell_angle_beta   118.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Na2SrCu
_chemical_formula_sum   'Na4 Sr2 Cu2'
_cell_volume   250.08
_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
  Na  Na0  2  -0.0  0.0  0.5  1.0
  Na  Na1  2  0.0  0.0  0.21  1.0
  Sr  Sr2  2  -0.0  0.0  0.96  1.0
  Cu  Cu3  2  0.0  0.0  0.52  1.0

Na Na Sr Cu