data_MnCoGe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.14
_cell_angle_alpha   105.09
_cell_angle_beta   105.09
_cell_angle_gamma   35.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoGe2
_chemical_formula_sum   'Mn1 Co1 Ge2'
_cell_volume   50.64
_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  0.84  0.0  0.3  1.0
  Co  Co0  1  0.4  0.0  0.69  1.0
  Ge  Ge1  1  0.94  0.0  0.3  1.0
  Ge  Ge2  1  0.42  0.0  0.68  1.0

data_MnCoGe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   4.14
_cell_length_c   4.66
_cell_angle_alpha   105.09
_cell_angle_beta   107.91
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCoGe2
_chemical_formula_sum   'Mn1 Co1 Ge2'
_cell_volume   50.64
_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  0.3  0.84  1.0
  Co  Co1  1  0.0  0.69  0.4  1.0
  Ge  Ge2  1  0.0  0.3  0.94  1.0
  Ge  Ge3  1  0.0  0.68  0.42  1.0

Mn Co Ge Ge
Mn Co Ge Ge 0 2 o o o 1 3 o o o 