data_NaSrCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaSrCu2
_chemical_formula_sum   'Na1 Sr1 Cu2'
_cell_volume   94.74
_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  Na2  1  0.0  0.0  0.0  1.0
  Sr  Sr3  1  0.0  0.0  0.42  1.0
  Cu  Cu0  1  0.61  0.0  0.48  1.0
  Cu  Cu1  1  0.61  0.0  0.35  1.0

data_NaSrCu2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   6.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   NaSrCu2
_chemical_formula_sum   'Na1 Sr1 Cu2'
_cell_volume   94.75
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Na0  1  0.0  0.0  0.0  1.0
  Sr  Sr1  1  0.0  0.0  0.42  1.0
  Cu  Cu2  1  0.61  0.0  0.35  1.0
  Cu  Cu3  1  0.61  0.0  0.48  1.0

Na Sr Cu Cu
Na Sr Cu Cu 0 3 - o o 0 3 o o o 0 1 o o o 1 3 - o o 1 2 - o o 2 3 o o o 