data_MnCuSn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   144.05
_cell_angle_beta   144.05
_cell_angle_gamma   51.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCuSn
_chemical_formula_sum   'Mn1 Cu1 Sn1'
_cell_volume   49.5
_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  Mn1  1  0.0  0.0  0.3  1.0
  Cu  Cu0  1  0.0  0.0  0.32  1.0
  Sn  Sn2  1  0.0  0.0  0.26  1.0

data_MnCuSn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.58
_cell_length_b   4.58
_cell_length_c   5.25
_cell_angle_alpha   90.0
_cell_angle_beta   115.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCuSn
_chemical_formula_sum   'Mn2 Cu2 Sn2'
_cell_volume   98.99
_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  0.3  0.0  0.3  1.0
  Cu  Cu1  2  0.32  0.0  0.32  1.0
  Sn  Sn2  2  0.26  0.0  0.26  1.0

Mn Cu Sn