data_MnAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.73
_cell_length_b   6.73
_cell_length_c   3.9
_cell_angle_alpha   103.24
_cell_angle_beta   103.24
_cell_angle_gamma   30.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pb
_chemical_formula_sum   'Mn1 As2 Pb1'
_cell_volume   86.88
_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  0.44  0.0  0.91  1.0
  As  As0  1  0.0  0.0  0.71  1.0
  As  As1  1  0.57  0.0  0.66  1.0
  Pb  Pb3  1  0.13  0.0  0.18  1.0

data_MnAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.53
_cell_length_b   3.9
_cell_length_c   6.73
_cell_angle_alpha   103.24
_cell_angle_beta   105.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAs2Pb
_chemical_formula_sum   'Mn1 As2 Pb1'
_cell_volume   86.88
_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  0.91  0.44  1.0
  As  As1  1  0.0  0.66  0.57  1.0
  As  As2  1  0.0  0.71  0.0  1.0
  Pb  Pb3  1  0.0  0.18  0.13  1.0

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