data_BaInCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.3
_cell_length_b   4.3
_cell_length_c   6.6
_cell_angle_alpha   109.05
_cell_angle_beta   109.05
_cell_angle_gamma   59.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCo2
_chemical_formula_sum   'Ba1 In1 Co2'
_cell_volume   97.2
_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  0.97  0.0  0.36  1.0
  In  In3  1  0.52  0.0  0.02  1.0
  Co  Co1  1  0.01  0.0  0.99  1.0
  Co  Co2  1  0.04  0.0  0.91  1.0

data_BaInCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   4.3
_cell_length_c   6.6
_cell_angle_alpha   70.95
_cell_angle_beta   71.23
_cell_angle_gamma   60.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaInCo2
_chemical_formula_sum   'Ba1 In1 Co2'
_cell_volume   97.2
_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  0.61  0.36  1.0
  In  In1  1  0.0  0.51  0.02  1.0
  Co  Co2  1  0.0  0.01  0.99  1.0
  Co  Co3  1  0.0  0.13  0.91  1.0

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