data_LaMnNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   4.53
_cell_angle_alpha   99.66
_cell_angle_beta   99.66
_cell_angle_gamma   35.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnNi2
_chemical_formula_sum   'La1 Mn1 Ni2'
_cell_volume   53.79
_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  0.97  0.0  0.23  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.35  0.0  0.13  1.0
  Ni  Ni3  1  0.58  0.0  0.34  1.0

data_LaMnNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   4.53
_cell_length_c   4.58
_cell_angle_alpha   99.66
_cell_angle_beta   107.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnNi2
_chemical_formula_sum   'La1 Mn1 Ni2'
_cell_volume   53.79
_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  0.23  0.97  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Ni  Ni2  1  0.0  0.13  0.35  1.0
  Ni  Ni3  1  0.0  0.34  0.58  1.0

La Mn Ni Ni