data_BaZrMn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.2
_cell_length_b   7.2
_cell_length_c   7.2
_cell_angle_alpha   152.81
_cell_angle_beta   152.81
_cell_angle_gamma   38.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrMn
_chemical_formula_sum   'Ba1 Zr1 Mn1'
_cell_volume   77.69
_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  0.0  0.24  1.0
  Zr  Zr2  1  0.0  0.0  0.77  1.0
  Mn  Mn1  1  0.0  0.0  0.14  1.0

data_BaZrMn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   7.2
_cell_angle_alpha   90.0
_cell_angle_beta   109.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaZrMn
_chemical_formula_sum   'Ba2 Zr2 Mn2'
_cell_volume   155.38
_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
  Ba  Ba0  2  0.24  0.0  0.24  1.0
  Zr  Zr1  2  0.27  0.5  0.77  1.0
  Mn  Mn2  2  0.14  0.0  0.14  1.0

Ba Zr Mn