data_MnAs2Pd
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.77
_cell_length_b   4.77
_cell_length_c   4.41
_cell_angle_alpha   103.55
_cell_angle_beta   103.55
_cell_angle_gamma   41.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pd
_chemical_formula_sum   'Mn1 As2 Pd1'
_cell_volume   64.54
_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  0.95  0.0  0.43  1.0
  As  As0  1  0.95  0.0  0.25  1.0
  As  As1  1  0.45  0.0  0.86  1.0
  Pd  Pd3  1  0.37  0.0  0.87  1.0

data_MnAs2Pd
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.41
_cell_length_c   4.77
_cell_angle_alpha   103.55
_cell_angle_beta   110.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pd
_chemical_formula_sum   'Mn1 As2 Pd1'
_cell_volume   64.54
_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  0.43  0.95  1.0
  As  As1  1  0.0  0.25  0.95  1.0
  As  As2  1  0.0  0.86  0.45  1.0
  Pd  Pd3  1  0.0  0.87  0.37  1.0

Mn As As Pd