data_GaCo3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   4.75
_cell_angle_alpha   148.54
_cell_angle_beta   63.84
_cell_angle_gamma   126.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo3
_chemical_formula_sum   'Ga1 Co3'
_cell_volume   44.74
_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
  Ga  Ga3  1  0.29  0.0  0.46  1.0
  Co  Co0  1  0.0  0.04  0.15  1.0
  Co  Co1  1  0.29  0.99  0.99  1.0
  Co  Co2  1  0.0  0.0  0.59  1.0

data_GaCo3
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.57
_cell_length_b   4.31
_cell_length_c   4.75
_cell_angle_alpha   117.0
_cell_angle_beta   105.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaCo3
_chemical_formula_sum   'Ga1 Co3'
_cell_volume   44.74
_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
  Ga  Ga0  1  0.46  0.46  0.75  1.0
  Co  Co1  1  0.15  0.11  0.11  1.0
  Co  Co2  1  0.59  0.59  0.59  1.0
  Co  Co3  1  0.99  1.0  0.28  1.0

Ga Co Co Co
Ga Co Co Co 0 3 o o o 1 2 o - - 