data_Mn2CdAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.92
_cell_angle_alpha   135.14
_cell_angle_beta   125.92
_cell_angle_gamma   72.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdAs
_chemical_formula_sum   'Mn2 Cd1 As1'
_cell_volume   66.31
_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  Mn2  1  0.88  0.0  0.82  1.0
  Mn  Mn3  1  0.0  0.23  0.14  1.0
  Cd  Cd1  1  0.0  0.0  0.96  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_Mn2CdAs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   4.47
_cell_length_c   4.92
_cell_angle_alpha   117.04
_cell_angle_beta   112.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CdAs
_chemical_formula_sum   'Mn2 Cd1 As1'
_cell_volume   66.31
_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  0.06  0.18  0.06  1.0
  Mn  Mn1  1  0.86  0.1  0.1  1.0
  Cd  Cd2  1  0.04  0.04  0.04  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Mn Mn Cd As