data_MnAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   3.49
_cell_angle_alpha   97.33
_cell_angle_beta   97.33
_cell_angle_gamma   114.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pb
_chemical_formula_sum   'Mn1 As2 Pb1'
_cell_volume   79.41
_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  0.0  0.0  0.0  1.0
  As  As0  1  0.95  0.14  0.7  1.0
  As  As1  1  0.95  0.86  0.7  1.0
  Pb  Pb3  1  0.74  0.0  0.0  1.0

data_MnAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.08
_cell_length_c   5.08
_cell_angle_alpha   114.82
_cell_angle_beta   97.33
_cell_angle_gamma   97.33
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pb
_chemical_formula_sum   'Mn1 As2 Pb1'
_cell_volume   79.41
_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  0.0  0.0  1.0
  As  As1  1  0.7  0.95  0.14  1.0
  As  As2  1  0.7  0.95  0.86  1.0
  Pb  Pb3  1  0.0  0.74  0.0  1.0

Mn As As Pb
Mn As As Pb 0 1 - o - 0 3 - o o 0 2 - - - 1 3 o o + 1 2 o - o 