data_ZrGa2Co
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07
_cell_length_b   4.07
_cell_length_c   5.11
_cell_angle_alpha   111.73
_cell_angle_beta   111.73
_cell_angle_gamma   56.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Co
_chemical_formula_sum   'Zr1 Ga2 Co1'
_cell_volume   64.24
_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
  Zr  Zr3  1  0.51  0.0  0.32  1.0
  Ga  Ga1  1  0.83  0.0  0.74  1.0
  Ga  Ga2  1  0.19  0.0  0.9  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0

data_ZrGa2Co
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   4.07
_cell_length_c   5.11
_cell_angle_alpha   111.73
_cell_angle_beta   90.0
_cell_angle_gamma   118.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGa2Co
_chemical_formula_sum   'Zr1 Ga2 Co1'
_cell_volume   64.24
_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
  Zr  Zr0  1  0.0  0.49  0.68  1.0
  Ga  Ga1  1  0.0  0.17  0.26  1.0
  Ga  Ga2  1  0.0  0.81  0.1  1.0
  Co  Co3  1  0.0  0.0  0.0  1.0

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