data_Mn2CdMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.17
_cell_angle_alpha   144.75
_cell_angle_beta   129.43
_cell_angle_gamma   63.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdMo
_chemical_formula_sum   'Mn2 Cd1 Mo1'
_cell_volume   60.98
_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  Mn1  1  0.0  0.0  0.13  1.0
  Mn  Mn2  1  0.57  0.0  0.3  1.0
  Cd  Cd0  1  0.0  0.21  0.19  1.0
  Mo  Mo3  1  0.0  0.0  0.18  1.0

data_Mn2CdMo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.42
_cell_length_c   5.17
_cell_angle_alpha   115.29
_cell_angle_beta   107.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdMo
_chemical_formula_sum   'Mn2 Cd1 Mo1'
_cell_volume   60.98
_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  0.13  0.13  1.0
  Mn  Mn1  1  0.0  0.3  0.74  1.0
  Cd  Cd2  1  0.79  0.98  0.98  1.0
  Mo  Mo3  1  0.0  0.18  0.18  1.0

Mn Mn Cd Mo