data_LaCo2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25
_cell_length_b   3.27
_cell_length_c   4.63
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2B
_chemical_formula_sum   'La1 Co2 B1'
_cell_volume   63.39
_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
  La  La3  1  0.71  0.0  0.28  1.0
  Co  Co1  1  0.26  0.64  0.17  1.0
  Co  Co2  1  0.17  0.64  0.39  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_LaCo2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   4.25
_cell_length_c   4.63
_cell_angle_alpha   100.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2B
_chemical_formula_sum   'La1 Co2 B1'
_cell_volume   63.39
_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
  La  La0  1  0.0  0.29  0.72  1.0
  Co  Co1  1  0.36  0.74  0.83  1.0
  Co  Co2  1  0.36  0.83  0.61  1.0
  B  B3  1  0.0  0.0  0.0  1.0

La Co Co B