data_BaInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   131.45
_cell_angle_beta   131.45
_cell_angle_gamma   71.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCo2
_chemical_formula_sum   'Ba1 In1 Co2'
_cell_volume   90.84
_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
  Ba  Ba0  1  0.0  0.26  0.23  1.0
  In  In3  1  0.0  0.0  0.46  1.0
  Co  Co1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.26  0.0  0.23  1.0

data_BaInCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   5.49
_cell_angle_alpha   114.27
_cell_angle_beta   114.27
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCo2
_chemical_formula_sum   'Ba1 In1 Co2'
_cell_volume   90.84
_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
  Ba  Ba0  1  0.98  0.23  0.98  1.0
  In  In1  1  0.46  0.46  0.46  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Co  Co3  1  0.23  0.98  0.98  1.0

Ba In Co Co
Ba In Co Co 0 2 o o o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 