data_BaMn2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.98
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2Si
_chemical_formula_sum   'Ba1 Mn2 Si1'
_cell_volume   95.89
_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
  Ba  Ba0  1  0.03  0.99  0.55  1.0
  Mn  Mn1  1  0.02  0.0  0.11  1.0
  Mn  Mn2  1  0.92  0.99  0.32  1.0
  Si  Si3  1  0.89  0.0  0.61  1.0

data_BaMn2Si
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.77
_cell_length_b   3.98
_cell_length_c   6.51
_cell_angle_alpha   90.0
_cell_angle_beta   100.54
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaMn2Si
_chemical_formula_sum   'Ba1 Mn2 Si1'
_cell_volume   95.89
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ba  Ba0  1  0.03  0.5  0.55  1.0
  Mn  Mn1  1  0.02  0.5  0.11  1.0
  Mn  Mn2  1  0.92  0.5  0.32  1.0
  Si  Si3  1  0.89  0.5  0.61  1.0

Ba Mn Mn Si