data_GaCu2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.13
_cell_length_b   3.13
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Pt
_chemical_formula_sum   'Ga1 Cu2 Pt1'
_cell_volume   54.61
_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
  Ga  Ga2  1  0.0  0.0  0.75  1.0
  Cu  Cu0  1  0.0  0.0  0.13  1.0
  Cu  Cu1  1  0.56  0.56  0.35  1.0
  Pt  Pt3  1  0.56  0.56  0.16  1.0

data_GaCu2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaCu2Pt
_chemical_formula_sum   'Ga2 Cu4 Pt2'
_cell_volume   109.22
_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
  Ga  Ga0  2  0.0  0.0  0.75  1.0
  Cu  Cu1  2  0.0  0.0  0.13  1.0
  Cu  Cu2  2  0.06  0.5  0.35  1.0
  Pt  Pt3  2  0.06  0.5  0.16  1.0

Ga Cu Cu Pt
Ga Cu Cu Pt 0 1 o o + 1 3 - - o 1 3 - o o 1 3 o - o 1 3 o o o 1 2 - - o 1 2 - o o 1 2 o - o 2 3 o o o 