data_MnNi2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51
_cell_length_b   4.51
_cell_length_c   4.51
_cell_angle_alpha   133.36
_cell_angle_beta   131.27
_cell_angle_gamma   69.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2Mo
_chemical_formula_sum   'Mn1 Ni2 Mo1'
_cell_volume   49.24
_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
  Mn  Mn0  1  0.0  0.0  0.7  1.0
  Ni  Ni2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.79  0.0  0.86  1.0
  Mo  Mo1  1  0.0  0.86  0.84  1.0

data_MnNi2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.72
_cell_length_c   4.51
_cell_angle_alpha   114.36
_cell_angle_beta   113.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnNi2Mo
_chemical_formula_sum   'Mn1 Ni2 Mo1'
_cell_volume   49.24
_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
  Mn  Mn0  1  0.3  0.3  0.3  1.0
  Ni  Ni1  1  0.93  0.14  0.93  1.0
  Ni  Ni2  1  1.0  1.0  1.0  1.0
  Mo  Mo3  1  0.16  0.02  0.02  1.0

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