data_MgAs2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   5.22
_cell_angle_alpha   112.27
_cell_angle_beta   112.27
_cell_angle_gamma   36.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2Pb
_chemical_formula_sum   'Mg1 As2 Pb1'
_cell_volume   93.69
_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
  Mg  Mg2  1  0.57  0.0  0.67  1.0
  As  As0  1  0.61  0.0  0.53  1.0
  As  As1  1  0.42  0.0  0.65  1.0
  Pb  Pb3  1  0.6  0.0  0.11  1.0

data_MgAs2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   5.22
_cell_length_c   5.76
_cell_angle_alpha   112.27
_cell_angle_beta   108.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgAs2Pb
_chemical_formula_sum   'Mg1 As2 Pb1'
_cell_volume   93.69
_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
  Mg  Mg0  1  0.0  0.67  0.57  1.0
  As  As1  1  0.0  0.53  0.61  1.0
  As  As2  1  0.0  0.65  0.42  1.0
  Pb  Pb3  1  0.0  0.11  0.6  1.0

Mg As As Pb