data_MnAsO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.98
_cell_length_b   5.98
_cell_length_c   5.98
_cell_angle_alpha   51.12
_cell_angle_beta   51.12
_cell_angle_gamma   51.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnAsO3
_chemical_formula_sum   'Mn2 As2 O6'
_cell_volume   119.57
_cell_formula_units_Z   2
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  Mn2  1  0.0  0.0  0.32  1.0
  Mn  Mn3  1  0.0  0.0  0.24  1.0
  As  As0  1  0.0  0.0  0.69  1.0
  As  As1  1  0.0  0.0  0.86  1.0
  O  O4  1  0.09  0.49  0.25  1.0
  O  O5  1  0.15  0.55  0.25  1.0
  O  O6  1  0.76  0.96  0.25  1.0
  O  O7  1  0.24  0.04  0.3  1.0
  O  O8  1  0.85  0.45  0.3  1.0
  O  O9  1  0.91  0.51  0.3  1.0

data_MnAsO3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.16
_cell_length_b   5.16
_cell_length_c   5.98
_cell_angle_alpha   64.44
_cell_angle_beta   64.44
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnAsO3
_chemical_formula_sum   'Mn2 As2 O6'
_cell_volume   119.57
_cell_formula_units_Z   2
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
  Mn  Mn0  2  0.0  0.46  0.04  1.0
  As  As1  2  0.0  0.08  0.42  1.0
  O  O2  2  0.04  0.52  0.7  1.0
  O  O3  2  0.45  0.52  0.67  1.0
  O  O4  2  0.49  0.48  0.44  1.0

Mn Mn As As O O O O O O