data_MnGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   142.17
_cell_angle_beta   130.06
_cell_angle_gamma   64.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2As
_chemical_formula_sum   'Mn1 Ge2 As1'
_cell_volume   69.99
_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  Mn3  1  0.0  0.0  0.55  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.73  0.0  0.33  1.0
  As  As0  1  0.0  0.25  0.14  1.0

data_MnGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   4.5
_cell_length_c   5.33
_cell_angle_alpha   114.97
_cell_angle_beta   108.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2As
_chemical_formula_sum   'Mn1 Ge2 As1'
_cell_volume   69.99
_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  0.55  0.55  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0
  Ge  Ge2  1  0.0  0.33  0.61  1.0
  As  As3  1  0.75  0.89  0.89  1.0

Mn Ge Ge As