data_BaMn2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   6.2
_cell_angle_alpha   106.49
_cell_angle_beta   106.49
_cell_angle_gamma   58.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2As
_chemical_formula_sum   'Ba1 Mn2 As1'
_cell_volume   89.36
_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  Ba1  1  0.69  0.0  0.93  1.0
  Mn  Mn2  1  0.43  0.0  0.46  1.0
  Mn  Mn3  1  0.94  0.0  0.41  1.0
  As  As0  1  0.0  0.0  0.0  1.0

data_BaMn2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.13
_cell_length_b   4.23
_cell_length_c   6.2
_cell_angle_alpha   106.49
_cell_angle_beta   90.0
_cell_angle_gamma   119.19
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMn2As
_chemical_formula_sum   'Ba1 Mn2 As1'
_cell_volume   89.36
_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  0.31  0.07  1.0
  Mn  Mn1  1  0.0  0.06  0.59  1.0
  Mn  Mn2  1  0.0  0.57  0.54  1.0
  As  As3  1  0.0  0.0  0.0  1.0

Ba Mn Mn As