data_BaMgSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   6.98
_cell_angle_alpha   113.39
_cell_angle_beta   113.39
_cell_angle_gamma   46.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgSi2
_chemical_formula_sum   'Ba1 Mg1 Si2'
_cell_volume   110.72
_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  0.28  0.0  0.14  1.0
  Mg  Mg1  1  0.9  0.0  0.39  1.0
  Si  Si2  1  0.47  0.0  0.54  1.0
  Si  Si3  1  0.47  0.0  0.38  1.0

data_BaMgSi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.89
_cell_length_b   4.93
_cell_length_c   6.76
_cell_angle_alpha   71.39
_cell_angle_beta   73.29
_cell_angle_gamma   66.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMgSi2
_chemical_formula_sum   'Ba1 Mg1 Si2'
_cell_volume   110.72
_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  0.0  0.14  0.14  1.0
  Mg  Mg1  1  0.0  0.52  0.39  1.0
  Si  Si2  1  0.0  0.09  0.38  1.0
  Si  Si3  1  0.0  0.94  0.54  1.0

Ba Mg Si Si