data_GaCu2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.89
_cell_length_b   4.63
_cell_length_c   4.6
_cell_angle_alpha   90.0
_cell_angle_beta   96.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2As
_chemical_formula_sum   'Ga1 Cu2 As1'
_cell_volume   61.33
_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  Ga3  1  0.02  0.0  0.4  1.0
  Cu  Cu1  1  0.84  0.0  0.02  1.0
  Cu  Cu2  1  0.13  0.32  0.42  1.0
  As  As0  1  0.48  0.32  0.02  1.0

data_GaCu2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   4.6
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   96.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCu2As
_chemical_formula_sum   'Ga1 Cu2 As1'
_cell_volume   61.33
_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  0.98  0.6  0.0  1.0
  Cu  Cu1  1  0.16  0.98  0.0  1.0
  Cu  Cu2  1  0.87  0.58  0.68  1.0
  As  As3  1  0.52  0.98  0.68  1.0

Ga Cu Cu As