data_Sr2GaCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.13
_cell_length_b   6.13
_cell_length_c   6.13
_cell_angle_alpha   134.42
_cell_angle_beta   134.42
_cell_angle_gamma   66.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaCu
_chemical_formula_sum   'Sr2 Ga1 Cu1'
_cell_volume   115.42
_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  0.0  0.12  1.0
  Sr  Sr3  1  0.0  0.37  0.56  1.0
  Ga  Ga1  1  0.37  0.0  0.56  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Sr2GaCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   6.13
_cell_angle_alpha   112.79
_cell_angle_beta   112.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2GaCu
_chemical_formula_sum   'Sr2 Ga1 Cu1'
_cell_volume   115.42
_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  0.12  0.12  0.12  1.0
  Sr  Sr1  1  0.19  0.56  0.19  1.0
  Ga  Ga2  1  0.56  0.19  0.19  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Sr Sr Ga Cu
Sr Sr Ga Cu 0 3 o o o 0 1 o o o 0 2 o o o 