data_MnCu2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.37
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   21.29
_cell_angle_beta   21.29
_cell_angle_gamma   21.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCu2Sb
_chemical_formula_sum   'Mn1 Cu2 Sb1'
_cell_volume   67.83
_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  0.0  0.0  0.0  1.0
  Cu  Cu0  1  0.0  0.0  0.23  1.0
  Cu  Cu1  1  0.0  0.0  0.31  1.0
  Sb  Sb3  1  0.0  0.0  0.27  1.0

data_MnCu2Sb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.36
_cell_length_b   3.09
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   102.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCu2Sb
_chemical_formula_sum   'Mn2 Cu4 Sb2'
_cell_volume   135.66
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Cu  Cu1  2  0.0  0.0  0.69  1.0
  Cu  Cu2  2  0.0  0.0  0.77  1.0
  Sb  Sb3  2  0.0  0.0  0.73  1.0

Mn Cu Cu Sb