data_GaCu2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   127.81
_cell_angle_beta   127.81
_cell_angle_gamma   76.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Mo
_chemical_formula_sum   'Ga1 Cu2 Mo1'
_cell_volume   55.1
_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  0.52  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.98  0.0  0.76  1.0
  Mo  Mo3  1  0.0  0.98  0.76  1.0

data_GaCu2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   3.96
_cell_length_c   4.5
_cell_angle_alpha   116.09
_cell_angle_beta   116.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2Mo
_chemical_formula_sum   'Ga1 Cu2 Mo1'
_cell_volume   55.1
_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  Ga0  1  0.48  0.0  0.48  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.24  0.0  0.22  1.0
  Mo  Mo3  1  0.22  0.98  0.22  1.0

Ga Cu Cu Mo