data_MgMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   2.97
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgMn2As
_chemical_formula_sum   'Mg1 Mn2 As1'
_cell_volume   57.88
_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
  Mg  Mg1  1  0.0  0.0  0.33  1.0
  Mn  Mn2  1  0.41  0.49  0.32  1.0
  Mn  Mn3  1  0.0  0.0  0.62  1.0
  As  As0  1  0.41  0.49  0.05  1.0

data_MgMn2As
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.83
_cell_length_b   2.97
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   MgMn2As
_chemical_formula_sum   'Mg1 Mn2 As1'
_cell_volume   57.88
_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
  Mg  Mg0  1  0.0  0.0  0.33  1.0
  Mn  Mn1  1  0.0  0.0  0.62  1.0
  Mn  Mn2  1  0.41  0.5  0.32  1.0
  As  As3  1  0.41  0.5  0.05  1.0

Mg Mn Mn As
Mg Mn Mn As 0 1 - - o 0 1 - o o 0 1 o - o 0 1 o o o 0 2 o o o 1 3 o o o 