data_NdGaCo4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   3.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGaCo4
_chemical_formula_sum   'Nd1 Ga1 Co4'
_cell_volume   88.81
_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
  Nd  Nd0  1  1.0  0.97  0.0  1.0
  Ga  Ga1  1  0.57  0.48  0.0  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.57  0.01  0.94  1.0
  Co  Co4  1  0.25  0.72  0.94  1.0
  Co  Co5  1  0.89  0.72  0.94  1.0

data_NdGaCo4
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdGaCo4
_chemical_formula_sum   'Nd1 Ga1 Co4'
_cell_volume   88.81
_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
  Nd  Nd0  1  0.0  1.0  0.97  1.0
  Ga  Ga1  1  0.0  0.57  0.48  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.94  0.25  0.72  1.0
  Co  Co4  1  0.94  0.57  0.01  1.0
  Co  Co5  1  0.94  0.89  0.72  1.0

Nd Ga Co Co Co Co