data_Mn2CdP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34
_cell_length_b   4.34
_cell_length_c   5.43
_cell_angle_alpha   105.01
_cell_angle_beta   105.01
_cell_angle_gamma   42.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdP
_chemical_formula_sum   'Mn2 Cd1 P1'
_cell_volume   65.99
_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  0.97  0.0  0.31  1.0
  Mn  Mn2  1  0.75  0.0  0.65  1.0
  Cd  Cd0  1  0.75  0.0  0.98  1.0
  P  P3  1  0.39  0.0  0.88  1.0

data_Mn2CdP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.34
_cell_length_c   5.43
_cell_angle_alpha   105.01
_cell_angle_beta   90.0
_cell_angle_gamma   111.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdP
_chemical_formula_sum   'Mn2 Cd1 P1'
_cell_volume   65.99
_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  0.03  0.69  1.0
  Mn  Mn1  1  0.0  0.25  0.35  1.0
  Cd  Cd2  1  0.0  0.25  0.02  1.0
  P  P3  1  0.0  0.61  0.12  1.0

Mn Mn Cd P