data_La2MgP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.31
_cell_length_b   6.31
_cell_length_c   6.31
_cell_angle_alpha   144.82
_cell_angle_beta   132.63
_cell_angle_gamma   60.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgP
_chemical_formula_sum   'La2 Mg1 P1'
_cell_volume   105.44
_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  0.0  0.02  1.0
  La  La1  1  0.0  0.53  0.73  1.0
  Mg  Mg2  1  0.0  0.0  0.61  1.0
  P  P3  1  0.91  0.0  0.55  1.0

data_La2MgP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   5.07
_cell_length_c   6.31
_cell_angle_alpha   113.69
_cell_angle_beta   107.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2MgP
_chemical_formula_sum   'La2 Mg1 P1'
_cell_volume   105.44
_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  0.02  0.02  1.0
  La  La1  1  0.47  0.19  0.19  1.0
  Mg  Mg2  1  0.0  0.61  0.61  1.0
  P  P3  1  0.0  0.55  0.64  1.0

La La Mg P