data_Mn2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   6.86
_cell_length_c   6.86
_cell_angle_alpha   27.85
_cell_angle_beta   27.85
_cell_angle_gamma   27.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdP
_chemical_formula_sum   'Mn2 Cd1 P1'
_cell_volume   62.36
_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  0.44  1.0
  Mn  Mn2  1  0.0  0.0  0.34  1.0
  Cd  Cd0  1  0.0  0.0  0.89  1.0
  P  P3  1  0.0  0.0  0.0  1.0

data_Mn2CdP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.72
_cell_length_b   3.3
_cell_length_c   6.86
_cell_angle_alpha   90.0
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Mn2CdP
_chemical_formula_sum   'Mn4 Cd2 P2'
_cell_volume   124.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.56  1.0
  Mn  Mn1  2  0.0  0.0  0.66  1.0
  Cd  Cd2  2  0.0  0.0  0.11  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Mn Mn Cd P
Mn Mn Cd P 0 1 o o o 2 3 o o + 