data_Mn2CrSi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.54
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrSi
_chemical_formula_sum   'Mn2 Cr1 Si1'
_cell_volume   44.62
_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  0.22  0.0  0.53  1.0
  Mn  Mn2  1  0.98  0.93  0.17  1.0
  Cr  Cr0  1  0.42  0.93  0.4  1.0
  Si  Si3  1  0.88  0.0  0.25  1.0

data_Mn2CrSi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.54
_cell_length_b   3.86
_cell_length_c   4.71
_cell_angle_alpha   90.0
_cell_angle_beta   105.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2CrSi
_chemical_formula_sum   'Mn2 Cr1 Si1'
_cell_volume   44.62
_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  0.22  0.0  0.53  1.0
  Mn  Mn1  1  0.98  0.93  0.17  1.0
  Cr  Cr2  1  0.42  0.93  0.4  1.0
  Si  Si3  1  0.88  0.0  0.25  1.0

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