data_MnCrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   144.94
_cell_angle_beta   144.94
_cell_angle_gamma   50.43
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrSi
_chemical_formula_sum   'Mn1 Cr1 Si1'
_cell_volume   33.3
_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  0.82  1.0
  Cr  Cr0  1  0.0  0.0  0.4  1.0
  Si  Si2  1  0.0  0.0  0.65  1.0

data_MnCrSi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   115.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnCrSi
_chemical_formula_sum   'Mn2 Cr2 Si2'
_cell_volume   66.59
_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  0.32  0.5  0.82  1.0
  Cr  Cr1  2  0.4  0.0  0.4  1.0
  Si  Si2  2  0.15  0.5  0.65  1.0

Mn Cr Si
Mn Cr Si 0 2 o o o 1 2 o o o 