data_BaLaCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   8.11
_cell_angle_alpha   102.77
_cell_angle_beta   102.77
_cell_angle_gamma   59.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaCo2
_chemical_formula_sum   'Ba1 La1 Co2'
_cell_volume   115.45
_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  0.76  0.0  0.11  1.0
  La  La3  1  0.67  0.0  0.05  1.0
  Co  Co1  1  0.1  0.0  0.74  1.0
  Co  Co2  1  0.31  0.0  0.72  1.0

data_BaLaCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   4.14
_cell_length_c   8.11
_cell_angle_alpha   102.77
_cell_angle_beta   90.0
_cell_angle_gamma   119.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLaCo2
_chemical_formula_sum   'Ba1 La1 Co2'
_cell_volume   115.45
_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  0.24  0.89  1.0
  La  La1  1  0.0  0.33  0.95  1.0
  Co  Co2  1  0.0  0.69  0.28  1.0
  Co  Co3  1  0.0  0.9  0.26  1.0

Ba La Co Co