data_LaMnCo2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   4.2
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnCo2
_chemical_formula_sum   'La1 Mn1 Co2'
_cell_volume   64.84
_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
  La  La2  1  0.0  0.1  0.24  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.72  0.0  0.24  1.0
  Co  Co1  1  0.72  0.1  0.0  1.0

data_LaMnCo2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.2
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnCo2
_chemical_formula_sum   'La1 Mn1 Co2'
_cell_volume   64.84
_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
  La  La0  1  0.0  0.1  0.24  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Co  Co2  1  0.72  0.0  0.24  1.0
  Co  Co3  1  0.72  0.1  -0.0  1.0

La Mn Co Co
La Mn Co Co 0 2 - o o 0 1 o o o 1 3 - o o 2 3 o o o 