data_LaMg2Mn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   5.09
_cell_angle_alpha   112.64
_cell_angle_beta   112.64
_cell_angle_gamma   29.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Mn
_chemical_formula_sum   'La1 Mg2 Mn1'
_cell_volume   94.83
_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
  La  La0  1  0.19  0.0  0.34  1.0
  Mg  Mg1  1  0.38  0.0  0.98  1.0
  Mg  Mg2  1  1.0  0.0  0.69  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

data_LaMg2Mn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.27
_cell_length_b   5.09
_cell_length_c   6.42
_cell_angle_alpha   112.64
_cell_angle_beta   104.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMg2Mn
_chemical_formula_sum   'La1 Mg2 Mn1'
_cell_volume   94.83
_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
  La  La0  1  0.0  0.34  0.19  1.0
  Mg  Mg1  1  0.0  0.69  1.0  1.0
  Mg  Mg2  1  0.0  0.98  0.38  1.0
  Mn  Mn3  1  0.0  0.0  0.0  1.0

La Mg Mg Mn