data_LaNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   5.71
_cell_angle_alpha   110.41
_cell_angle_beta   110.41
_cell_angle_gamma   54.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Mo
_chemical_formula_sum   'La1 Ni2 Mo1'
_cell_volume   76.3
_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  0.64  0.0  0.54  1.0
  Ni  Ni2  1  0.24  0.0  0.2  1.0
  Ni  Ni3  1  0.03  0.0  0.59  1.0
  Mo  Mo1  1  0.18  0.0  0.81  1.0

data_LaNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.88
_cell_length_b   4.21
_cell_length_c   5.71
_cell_angle_alpha   110.41
_cell_angle_beta   90.0
_cell_angle_gamma   117.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNi2Mo
_chemical_formula_sum   'La1 Ni2 Mo1'
_cell_volume   76.3
_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  0.36  0.46  1.0
  Ni  Ni1  1  0.0  0.76  0.8  1.0
  Ni  Ni2  1  0.0  0.97  0.41  1.0
  Mo  Mo3  1  0.0  0.82  0.19  1.0

La Ni Ni Mo
La Ni Ni Mo 0 2 + o o 0 1 o o o 1 3 o o - 2 3 o o o 