data_MnCrSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.76
_cell_angle_alpha   101.28
_cell_angle_beta   101.28
_cell_angle_gamma   35.67
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrSi2
_chemical_formula_sum   'Mn1 Cr1 Si2'
_cell_volume   48.11
_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  0.52  0.0  0.33  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.78  0.0  0.18  1.0
  Si  Si3  1  0.26  0.0  0.48  1.0

data_MnCrSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.21
_cell_length_c   4.76
_cell_angle_alpha   101.28
_cell_angle_beta   90.0
_cell_angle_gamma   107.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnCrSi2
_chemical_formula_sum   'Mn1 Cr1 Si2'
_cell_volume   48.11
_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  0.48  0.67  1.0
  Cr  Cr1  1  0.0  0.0  0.0  1.0
  Si  Si2  1  0.0  0.22  0.82  1.0
  Si  Si3  1  0.0  0.74  0.52  1.0

Mn Cr Si Si
Mn Cr Si Si 0 3 o o o 0 2 o o o 1 2 - o o 