data_MnGe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.68
_cell_angle_alpha   108.32
_cell_angle_beta   108.32
_cell_angle_gamma   124.05
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2As
_chemical_formula_sum   'Mn1 Ge2 As1'
_cell_volume   70.9
_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  0.0  1.0
  Ge  Ge1  1  0.08  0.53  0.37  1.0
  Ge  Ge2  1  0.08  0.47  0.37  1.0
  As  As0  1  0.62  0.0  0.0  1.0

data_MnGe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.68
_cell_length_b   3.9
_cell_length_c   5.6
_cell_angle_alpha   109.56
_cell_angle_beta   108.32
_cell_angle_gamma   92.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnGe2As
_chemical_formula_sum   'Mn1 Ge2 As1'
_cell_volume   70.9
_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
  Ge  Ge1  1  0.84  0.47  0.55  1.0
  Ge  Ge2  1  0.9  0.53  0.61  1.0
  As  As3  1  -0.0  0.0  0.62  1.0

Mn Ge Ge As