data_ZrGaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.2
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCo2
_chemical_formula_sum   'Zr1 Ga1 Co2'
_cell_volume   58.09
_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  0.69  0.1  0.64  1.0
  Ga  Ga2  1  0.11  0.0  0.16  1.0
  Co  Co0  1  0.66  0.0  0.06  1.0
  Co  Co1  1  0.88  0.1  0.23  1.0

data_ZrGaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.93
_cell_length_b   4.2
_cell_length_c   4.91
_cell_angle_alpha   90.0
_cell_angle_beta   105.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGaCo2
_chemical_formula_sum   'Zr1 Ga1 Co2'
_cell_volume   58.09
_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  0.69  0.1  0.64  1.0
  Ga  Ga1  1  0.11  0.0  0.16  1.0
  Co  Co2  1  0.66  0.0  0.06  1.0
  Co  Co3  1  0.88  0.1  0.23  1.0

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